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

C16H17N5O2 — CID 135449490

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2nc(C)c3ccc(C)cc3n2)n1
InChIInChI=1S/C16H17N5O2/c1-9-4-5-12-10(2)17-15(19-13(12)6-9)21-16-18-11(8-23-3)7-14(22)20-16/h4-7H,8H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyJXCCZEPRYGNWMX-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.22
Rot. Bonds4

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

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135449490) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID135449490
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2nc(C)c3ccc(C)cc3n2)n1
InChIInChI=1S/C16H17N5O2/c1-9-4-5-12-10(2)17-15(19-13(12)6-9)21-16-18-11(8-23-3)7-14(22)20-16/h4-7H,8H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyJXCCZEPRYGNWMX-UHFFFAOYSA-N
XLogP2.22
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 135449490) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(Nc2nc(C)c3ccc(C)cc3n2)n1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is JXCCZEPRYGNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9-4-5-12-10(2)17-15(19-13(12)6-9)21-16-18-11(8-23-3)7-14(22)20-16/h4-7H,8H2,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 311.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135449490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).