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

C16H17N5O — CID 135447227

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(C)c(C)c(=O)[nH]3)nc2c1
InChIInChI=1S/C16H17N5O/c1-8-5-6-12-11(4)18-15(19-13(12)7-8)21-16-17-10(3)9(2)14(22)20-16/h5-7H,1-4H3,(H2,17,18,19,20,21,22)
InChIKeyBYZNOMUZAWIDAN-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.69
Rot. Bonds2

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

2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135447227) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135447227
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(C)c(C)c(=O)[nH]3)nc2c1
InChIInChI=1S/C16H17N5O/c1-8-5-6-12-11(4)18-15(19-13(12)7-8)21-16-17-10(3)9(2)14(22)20-16/h5-7H,1-4H3,(H2,17,18,19,20,21,22)
InChIKeyBYZNOMUZAWIDAN-UHFFFAOYSA-N
XLogP2.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9995195
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CID 269325
CID 269325
CID 135543905
CID 135543905
CID 11301995
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CID 11450364
CID 11450364
CID 2853458
CID 2853458
CID 135426178
CID 135426178
CID 135526883
CID 135526883
CID 490662
CID 490662

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135447227) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1ccc2c(C)nc(Nc3nc(C)c(C)c(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is BYZNOMUZAWIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-8-5-6-12-11(4)18-15(19-13(12)7-8)21-16-17-10(3)9(2)14(22)20-16/h5-7H,1-4H3,(H2,17,18,19,20,21,22).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 295.35 g/mol, XLogP of 2.69, 2 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]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135447227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).