2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one

C28H25N7O — CID 144954835

IUPAC2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(-c3ccc(C)cc3)c2c(=O)n1-c1ccccc1.N#Cc1cnc(N)nc1N
InChIInChI=1S/C23H20N2O.C5H5N5/c1-3-21-24-20-11-7-10-19(17-14-12-16(2)13-15-17)22(20)23(26)25(21)18-8-5-4-6-9-18;6-1-3-2-9-5(8)10-4(3)7/h4-15H,3H2,1-2H3;2H,(H4,7,8,9,10)
InChIKeyLPXOFDSUARUXOC-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.44
Rot. Bonds3

About 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one

2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one (PubChem CID 144954835) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
PubChem CID144954835
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Name2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(-c3ccc(C)cc3)c2c(=O)n1-c1ccccc1.N#Cc1cnc(N)nc1N
InChIInChI=1S/C23H20N2O.C5H5N5/c1-3-21-24-20-11-7-10-19(17-14-12-16(2)13-15-17)22(20)23(26)25(21)18-8-5-4-6-9-18;6-1-3-2-9-5(8)10-4(3)7/h4-15H,3H2,1-2H3;2H,(H4,7,8,9,10)
InChIKeyLPXOFDSUARUXOC-UHFFFAOYSA-N
XLogP4.44
TPSA136.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methoxypyrimidin-2-yl)-3-phenylquinazolin-4-one
CID 144954589
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one
CID 144543990
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2-amino-4-[[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]methylamino]pyrimidine-5-carbonitrile
CID 118493729
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(2-methylsulfanyl-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 144543869
4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144954490
2-amino-4-[[(1S)-1-[5-(2-ethylpyrimidin-5-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 71274094
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(5-methoxypyrimidin-2-yl)-2-phenylisoquinolin-1-one
CID 144543603
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-2-(3-fluorophenyl)-8-(5-methyl-3-pyridinyl)isoquinolin-1-one
CID 144543987
2-amino-4-[1-[5-(4-chlorophenyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493967
2-amino-4-[[(1S)-1-[5-(4-methoxyphenyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118493653
5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
CID 144954554

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one (CID 144954835) is 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one is CCc1nc2cccc(-c3ccc(C)cc3)c2c(=O)n1-c1ccccc1.N#Cc1cnc(N)nc1N.
What is the InChIKey of 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one?
The InChIKey is LPXOFDSUARUXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O.C5H5N5/c1-3-21-24-20-11-7-10-19(17-14-12-16(2)13-15-17)22(20)23(26)25(21)18-8-5-4-6-9-18;6-1-3-2-9-5(8)10-4(3)7/h4-15H,3H2,1-2H3;2H,(H4,7,8,9,10).
What are the key properties of 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one?
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one has a molecular weight of 475.56 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 144954835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).