5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

C19H23N5O — CID 135602396

IUPAC5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C19H23N5O/c1-5-6-7-15-13(4)21-19(23-17(15)25)24-18-20-12(3)14-9-8-11(2)10-16(14)22-18/h8-10H,5-7H2,1-4H3,(H2,20,21,22,23,24,25)
InChIKeyJVMVRIWOASHWIQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.72
Rot. Bonds5

About 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135602396) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135602396
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C19H23N5O/c1-5-6-7-15-13(4)21-19(23-17(15)25)24-18-20-12(3)14-9-8-11(2)10-16(14)22-18/h8-10H,5-7H2,1-4H3,(H2,20,21,22,23,24,25)
InChIKeyJVMVRIWOASHWIQ-UHFFFAOYSA-N
XLogP3.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135602396) is 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O.
What is the InChIKey of 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JVMVRIWOASHWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-6-7-15-13(4)21-19(23-17(15)25)24-18-20-12(3)14-9-8-11(2)10-16(14)22-18/h8-10H,5-7H2,1-4H3,(H2,20,21,22,23,24,25).
What are the key properties of 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 337.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135602396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).