Chemical Properties of Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (CAS 21038-67-5)

Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione

InChI
InChI=1S/C7H5N3O2/c11-6-4-1-2-8-3-5(4)9-7(12)10-6/h1-3H,(H2,9,10,11,12)
InChI Key
MNNWQAIAFUMNOS-UHFFFAOYSA-N
Formula
C7H5N3O2
SMILES
O=c1[nH]c(=O)c2ccncc2[nH]1
Molecular Weight1
163.13
CAS
21038-67-5
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Physical Properties

Property Value Unit Source
ω 0.5818 Relay (1.0) Calculated Property
ΔfG° 42.89 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -140.43 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.19 kJ/mol Relay (1.0) Calculated Property
IE 9.04 eV Relay (1.0) Calculated Property
log10WS -1.83 Relay (1.0) Calculated Property
logPoct/wat -1.352 Crippen Calculated Property
McVol 107.950 ml/mol McGowan Calculated Property
Pc 5947.67 kPa Relay (1.0-beta) Calculated Property
Tboil 632.80 K Relay (1.0) Calculated Property
Tc 958.07 K Relay (1.0) Calculated Property
Tfus 598.06 K Relay (1.0) Calculated Property
Vc 0.389 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

benzoyleneurea. 3-Amino-1H-quinazoline-2,4-dione. N6-TMS-2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TBDMSi). N6-TMS-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TMS, 5'-O-TBDMS. N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS. Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. Biotin, TMS. Tryptophan, N-acetyl-5-methoxy, TMS. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Baptifoline. Benazepril Me. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-.

Find more compounds similar to Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione.

Sources

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