Chemical Properties of Formamide, n-(4-amino-2-chloro-5-pyrimidinyl)- (CAS 116434-76-5)

Formamide, n-(4-amino-2-chloro-5-pyrimidinyl)-

InChI
InChI=1S/C5H5ClN4O/c6-5-8-1-3(9-2-11)4(7)10-5/h1-2H,(H,9,11)(H2,7,8,10)
InChI Key
IVHDXSNZTNNPRF-UHFFFAOYSA-N
Formula
C5H5ClN4O
SMILES
Nc1nc(Cl)ncc1NC=O
Molecular Weight1
172.57
CAS
116434-76-5
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Physical Properties

Property Value Unit Source
ω 0.5966 Relay (1.0) Calculated Property
ΔfG° 206.81 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -25.05 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 89.76 kJ/mol Relay (1.0) Calculated Property
IE 8.93 eV Relay (1.0) Calculated Property
log10WS -1.87 Relay (1.0) Calculated Property
logPoct/wat 0.281 Crippen Calculated Property
McVol 111.280 ml/mol McGowan Calculated Property
Pc 5600.63 kPa Relay (1.0-beta) Calculated Property
Tboil 587.52 K Relay (1.0) Calculated Property
Tc 897.74 K Relay (1.0) Calculated Property
Tfus 491.68 K Relay (1.0) Calculated Property
Vc 0.388 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Formamide, n-(4-amino-6-chloro-5-pyrimidinyl)-. Formamide, n-(2,4-diamino-6-chloro-5-pyrimidinyl)-. Formamide, n-[4-amino-6-(dimethylamino)-5-pyrimidinyl]-. Formamide, n-[4-amino-2,6-bis-(methylthio)-5-pyrimidinyl]-. Formamide, n-(4-amino-6-chloro-5-pyrimidinyl)-n-cyclopentyl-. Pyrimidine, 6-hydroxy-5-acetamino-4-chloro, TMS. 2-Amino-3,5,7,8-tetrahydro-4,6-pteridinedione. 1-Phenylcarbamoyl-2,3-phthaloyl-7,8-benzopyrrocoline. Pyrimidine, 6-amino-5-hydroxyacetamino-4-mercapto, TMS. Androsta-5,9(11)-dien-3-one, 17beta-acetoxy-4-oxa-. 5-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide. 4-Pyrimidinol, 5-acetamido-6-amino-. Kainic acid, N-isoBOC TBDMS. Thymidine. Levobunolol, acetylated.

Find more compounds similar to Formamide, n-(4-amino-2-chloro-5-pyrimidinyl)-.

Sources

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