2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

C12H13N3O — CID 62191311

IUPAC2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2cccc(OC)c2)n1
InChIInChI=1S/C12H13N3O/c1-13-11-6-7-14-12(15-11)9-4-3-5-10(8-9)16-2/h3-8H,1-2H3,(H,13,14,15)
InChIKeyXZKILUGCQMIUAN-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 62191311) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID62191311
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2cccc(OC)c2)n1
InChIInChI=1S/C12H13N3O/c1-13-11-6-7-14-12(15-11)9-4-3-5-10(8-9)16-2/h3-8H,1-2H3,(H,13,14,15)
InChIKeyXZKILUGCQMIUAN-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
CID 113329743
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
ethane;2-(1H-imidazol-2-yl)-4-methylpyrimidine;2-(3-methoxyphenyl)-4-methylpyrimidine
CID 142171320
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 170547479
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
ethane;2-methoxy-N-methylpyrimidin-4-amine
CID 169237983
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 62190613

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 62191311) is 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is CNc1ccnc(-c2cccc(OC)c2)n1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is XZKILUGCQMIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-11-6-7-14-12(15-11)9-4-3-5-10(8-9)16-2/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62191311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).