2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

C20H25N5O — CID 135467306

IUPAC2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C20H25N5O/c1-11(2)9-10-16-14(5)22-20(24-18(16)26)25-19-21-13(4)15-8-6-7-12(3)17(15)23-19/h6-8,11H,9-10H2,1-5H3,(H2,21,22,23,24,25,26)
InChIKeyBGTIITOCEKTQMH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.97
Rot. Bonds5

About 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 135467306) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID135467306
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C20H25N5O/c1-11(2)9-10-16-14(5)22-20(24-18(16)26)25-19-21-13(4)15-8-6-7-12(3)17(15)23-19/h6-8,11H,9-10H2,1-5H3,(H2,21,22,23,24,25,26)
InChIKeyBGTIITOCEKTQMH-UHFFFAOYSA-N
XLogP3.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
2-(2-methoxyanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135402451
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 135418958
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135469041
4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135645110
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008

Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (CID 135467306) is 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is Cc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1CCC(C)C.
What is the InChIKey of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is BGTIITOCEKTQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-11(2)9-10-16-14(5)22-20(24-18(16)26)25-19-21-13(4)15-8-6-7-12(3)17(15)23-19/h6-8,11H,9-10H2,1-5H3,(H2,21,22,23,24,25,26).
What are the key properties of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 351.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135467306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).