7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine

C21H19N5O — CID 1349111

IUPAC7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine
SMILESCOc1ccc2c(C)nc(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C21H19N5O/c1-13-11-18(15-7-5-4-6-8-15)24-20(22-13)26-21-23-14(2)17-10-9-16(27-3)12-19(17)25-21/h4-12H,1-3H3,(H,22,23,24,25,26)
InChIKeyKKIDVDCMZNLINU-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.46
Rot. Bonds4

About 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine

7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine (PubChem CID 1349111) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine
PubChem CID1349111
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine
SMILESCOc1ccc2c(C)nc(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C21H19N5O/c1-13-11-18(15-7-5-4-6-8-15)24-20(22-13)26-21-23-14(2)17-10-9-16(27-3)12-19(17)25-21/h4-12H,1-3H3,(H,22,23,24,25,26)
InChIKeyKKIDVDCMZNLINU-UHFFFAOYSA-N
XLogP4.46
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
The IUPAC name of 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine (CID 1349111) is 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine.
What is the SMILES notation for 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
The canonical SMILES for 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine is COc1ccc2c(C)nc(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1.
What is the InChIKey of 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
The InChIKey is KKIDVDCMZNLINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-11-18(15-7-5-4-6-8-15)24-20(22-13)26-21-23-14(2)17-10-9-16(27-3)12-19(17)25-21/h4-12H,1-3H3,(H,22,23,24,25,26).
What are the key properties of 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 1349111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).