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

C17H19N5O — CID 135472926

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C17H19N5O/c1-5-12-10(3)18-17(21-15(12)23)22-16-19-11(4)13-7-6-9(2)8-14(13)20-16/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23)
InChIKeyQQXAZCAMMAWWIS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.94
Rot. Bonds3

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

2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135472926) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135472926
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C17H19N5O/c1-5-12-10(3)18-17(21-15(12)23)22-16-19-11(4)13-7-6-9(2)8-14(13)20-16/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23)
InChIKeyQQXAZCAMMAWWIS-UHFFFAOYSA-N
XLogP2.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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CID 490662
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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135472926) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QQXAZCAMMAWWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-5-12-10(3)18-17(21-15(12)23)22-16-19-11(4)13-7-6-9(2)8-14(13)20-16/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 309.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135472926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).