5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C18H21N5O — CID 135762344

IUPAC5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O
InChIInChI=1S/C18H21N5O/c1-6-13-11(4)19-18(22-16(13)24)23-17-20-12(5)14-8-9(2)7-10(3)15(14)21-17/h7-8H,6H2,1-5H3,(H2,19,20,21,22,23,24)
InChIKeyJFELYTNKBUFEST-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.25
Rot. Bonds3

About 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135762344) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135762344
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O
InChIInChI=1S/C18H21N5O/c1-6-13-11(4)19-18(22-16(13)24)23-17-20-12(5)14-8-9(2)7-10(3)15(14)21-17/h7-8H,6H2,1-5H3,(H2,19,20,21,22,23,24)
InChIKeyJFELYTNKBUFEST-UHFFFAOYSA-N
XLogP3.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135402276
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
CID 23881466
4-methyl-5-prop-2-enyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135602400
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008
ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762529

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135762344) is 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is CCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is JFELYTNKBUFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-6-13-11(4)19-18(22-16(13)24)23-17-20-12(5)14-8-9(2)7-10(3)15(14)21-17/h7-8H,6H2,1-5H3,(H2,19,20,21,22,23,24).
What are the key properties of 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 323.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135762344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).