4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one

C24H22ClN7O2 — CID 134427724

IUPAC4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCc1cccc(-n2c([C@H](C)Nc3ncnc4c3C(=O)N(C)CN4)nc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C24H22ClN7O2/c1-13-6-4-7-15(10-13)32-22(30-17-9-5-8-16(25)18(17)24(32)34)14(2)29-21-19-20(26-11-27-21)28-12-31(3)23(19)33/h4-11,14H,12H2,1-3H3,(H2,26,27,28,29)/t14-/m0/s1
InChIKeyZEWHDDPIMKQYHO-AWEZNQCLSA-N
MW475.94 g/mol
LogP3.77
Rot. Bonds4

About 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one

4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one (PubChem CID 134427724) has the molecular formula C24H22ClN7O2 and a molecular weight of 475.94 g/mol. Its IUPAC name is 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
PubChem CID134427724
Molecular FormulaC24H22ClN7O2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC Name4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCc1cccc(-n2c([C@H](C)Nc3ncnc4c3C(=O)N(C)CN4)nc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C24H22ClN7O2/c1-13-6-4-7-15(10-13)32-22(30-17-9-5-8-16(25)18(17)24(32)34)14(2)29-21-19-20(26-11-27-21)28-12-31(3)23(19)33/h4-11,14H,12H2,1-3H3,(H2,26,27,28,29)/t14-/m0/s1
InChIKeyZEWHDDPIMKQYHO-AWEZNQCLSA-N
XLogP3.77
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one with MolForge

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Related Compounds

5-chloro-3-(3-methylphenyl)-2-[1-[(1-methyl-2H-pyrimidin-5-yl)amino]ethyl]quinazolin-4-one
CID 175126406
2-amino-4-[1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethylamino]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 134427763
4-[[(1S)-1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294839
4-amino-6-[[(1S)-1-[3-(3-aminophenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118571566
4-[2-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 134427741
5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575545
5-chloro-2-[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]ethyl]-3-phenylquinazolin-4-one
CID 118493955
2-[(1S)-1-[[6-amino-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(3-chlorophenyl)quinazolin-4-one
CID 90232572
5-chloro-2-[(1S)-1-[(2,6-diamino-5-fluoropyrimidin-4-yl)amino]ethyl]-3-phenylquinazolin-4-one
CID 90235769
2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one
CID 175527759
2-[1-[[6-amino-5-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 90232924
2-[1-[[6-amino-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(3-fluoro-5-methylphenyl)quinazolin-4-one
CID 90253812

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one (CID 134427724) is 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one is Cc1cccc(-n2c([C@H](C)Nc3ncnc4c3C(=O)N(C)CN4)nc3cccc(Cl)c3c2=O)c1.
What is the InChIKey of 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is ZEWHDDPIMKQYHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c1-13-6-4-7-15(10-13)32-22(30-17-9-5-8-16(25)18(17)24(32)34)14(2)29-21-19-20(26-11-27-21)28-12-31(3)23(19)33/h4-11,14H,12H2,1-3H3,(H2,26,27,28,29)/t14-/m0/s1.
What are the key properties of 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 475.94 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 134427724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).