pyrimido[4,5-g]quinazoline-5,10-dione

C10H4N4O2 — CID 151510286

IUPACpyrimido[4,5-g]quinazoline-5,10-dione
SMILESO=C1c2cncnc2C(=O)c2cncnc21
InChIInChI=1S/C10H4N4O2/c15-9-5-1-11-3-13-7(5)10(16)6-2-12-4-14-8(6)9/h1-4H
InChIKeyPSHRYQRMHCFSOZ-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.04
Rot. Bonds

About pyrimido[4,5-g]quinazoline-5,10-dione

pyrimido[4,5-g]quinazoline-5,10-dione (PubChem CID 151510286) has the molecular formula C10H4N4O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is pyrimido[4,5-g]quinazoline-5,10-dione.

Molecular Properties

Compound Namepyrimido[4,5-g]quinazoline-5,10-dione
PubChem CID151510286
Molecular FormulaC10H4N4O2
Molecular Weight212.17 g/mol
Exact Mass212.03
IUPAC Namepyrimido[4,5-g]quinazoline-5,10-dione
SMILESO=C1c2cncnc2C(=O)c2cncnc21
InChIInChI=1S/C10H4N4O2/c15-9-5-1-11-3-13-7(5)10(16)6-2-12-4-14-8(6)9/h1-4H
InChIKeyPSHRYQRMHCFSOZ-UHFFFAOYSA-N
XLogP0.04
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone
CID 19041923
6,7-bis[(4-methylphenyl)sulfanyl]quinazoline-5,8-dione
CID 57395794
6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione
CID 157499085
6-anilinoquinazoline-5,8-dione
CID 11776927
7-bromo-6-(3,4-dimethylanilino)quinazoline-5,8-dione
CID 178179695
7-chloro-6-(3,4-difluoroanilino)quinazoline-5,8-dione
CID 86042324
3,5,9-triazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene
CID 172544070
pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
7-bromo-6-(3-fluoro-4-methylanilino)quinazoline-5,8-dione
CID 178179665
6-(3-fluoroanilino)quinazoline-5,8-dione
CID 11076465
7-bromo-6-(4-fluoro-3-methoxyanilino)quinazoline-5,8-dione
CID 178179603

Frequently Asked Questions

What is the IUPAC name of pyrimido[4,5-g]quinazoline-5,10-dione?
The IUPAC name of pyrimido[4,5-g]quinazoline-5,10-dione (CID 151510286) is pyrimido[4,5-g]quinazoline-5,10-dione.
What is the SMILES notation for pyrimido[4,5-g]quinazoline-5,10-dione?
The canonical SMILES for pyrimido[4,5-g]quinazoline-5,10-dione is O=C1c2cncnc2C(=O)c2cncnc21.
What is the InChIKey of pyrimido[4,5-g]quinazoline-5,10-dione?
The InChIKey is PSHRYQRMHCFSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4O2/c15-9-5-1-11-3-13-7(5)10(16)6-2-12-4-14-8(6)9/h1-4H.
What are the key properties of pyrimido[4,5-g]quinazoline-5,10-dione?
pyrimido[4,5-g]quinazoline-5,10-dione has a molecular weight of 212.17 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[4,5-g]quinazoline-5,10-dione is sourced from PubChem (CID 151510286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).