4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C20H16ClN5O — CID 135645110

IUPAC4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(-c3ccccc3Cl)cc(=O)[nH]2)nc2c(C)cccc12
InChIInChI=1S/C20H16ClN5O/c1-11-6-5-8-13-12(2)22-19(25-18(11)13)26-20-23-16(10-17(27)24-20)14-7-3-4-9-15(14)21/h3-10H,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyPMTYLPUFWRXYAS-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.39
Rot. Bonds3

About 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135645110) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135645110
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(-c3ccccc3Cl)cc(=O)[nH]2)nc2c(C)cccc12
InChIInChI=1S/C20H16ClN5O/c1-11-6-5-8-13-12(2)22-19(25-18(11)13)26-20-23-16(10-17(27)24-20)14-7-3-4-9-15(14)21/h3-10H,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyPMTYLPUFWRXYAS-UHFFFAOYSA-N
XLogP4.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135645110) is 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is Cc1nc(Nc2nc(-c3ccccc3Cl)cc(=O)[nH]2)nc2c(C)cccc12.
What is the InChIKey of 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is PMTYLPUFWRXYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-11-6-5-8-13-12(2)22-19(25-18(11)13)26-20-23-16(10-17(27)24-20)14-7-3-4-9-15(14)21/h3-10H,1-2H3,(H2,22,23,24,25,26,27).
What are the key properties of 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 377.84 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135645110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).