N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C17H16N4O — CID 22732468

IUPACN-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(C)nc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O/c1-12-11-16(20-13-7-3-4-9-15(13)22-2)21-17(19-12)14-8-5-6-10-18-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyLVORAGJKVJIRLW-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.60
Rot. Bonds4

About N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 22732468) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID22732468
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(C)nc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O/c1-12-11-16(20-13-7-3-4-9-15(13)22-2)21-17(19-12)14-8-5-6-10-18-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyLVORAGJKVJIRLW-UHFFFAOYSA-N
XLogP3.60
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 22732468) is N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is COc1ccccc1Nc1cc(C)nc(-c2ccccn2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is LVORAGJKVJIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-11-16(20-13-7-3-4-9-15(13)22-2)21-17(19-12)14-8-5-6-10-18-14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 22732468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).