5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine

C18H18N4O — CID 70688842

IUPAC5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1C
InChIInChI=1S/C18H18N4O/c1-13-7-3-4-8-14(13)11-20-18-16(23-2)12-21-17(22-18)15-9-5-6-10-19-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyIGMPLBBDJQRYQV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.47
Rot. Bonds5

About 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine

5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 70688842) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID70688842
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1C
InChIInChI=1S/C18H18N4O/c1-13-7-3-4-8-14(13)11-20-18-16(23-2)12-21-17(22-18)15-9-5-6-10-19-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyIGMPLBBDJQRYQV-UHFFFAOYSA-N
XLogP3.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 70688842) is 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NCc1ccccc1C.
What is the InChIKey of 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is IGMPLBBDJQRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-3-4-8-14(13)11-20-18-16(23-2)12-21-17(22-18)15-9-5-6-10-19-15/h3-10,12H,11H2,1-2H3,(H,20,21,22).
What are the key properties of 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine?
5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2-methylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 70688842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).