N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine

C16H17N5O — CID 658255

IUPACN-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
SMILESCOc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1
InChIInChI=1S/C16H17N5O/c1-9-7-10(2)18-15(17-9)21-16-19-11(3)13-6-5-12(22-4)8-14(13)20-16/h5-8H,1-4H3,(H,17,18,19,20,21)
InChIKeyOFKKSNOQAWSGSV-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.10
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine

N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine (PubChem CID 658255) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
PubChem CID658255
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
SMILESCOc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1
InChIInChI=1S/C16H17N5O/c1-9-7-10(2)18-15(17-9)21-16-19-11(3)13-6-5-12(22-4)8-14(13)20-16/h5-8H,1-4H3,(H,17,18,19,20,21)
InChIKeyOFKKSNOQAWSGSV-UHFFFAOYSA-N
XLogP3.10
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine (CID 658255) is N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine is COc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine?
The InChIKey is OFKKSNOQAWSGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-7-10(2)18-15(17-9)21-16-19-11(3)13-6-5-12(22-4)8-14(13)20-16/h5-8H,1-4H3,(H,17,18,19,20,21).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine is sourced from PubChem (CID 658255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).