1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine

C13H15N3O — CID 62748257

IUPAC1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2cccc(OC)c2)n1
InChIInChI=1S/C13H15N3O/c1-14-9-11-6-7-15-13(16-11)10-4-3-5-12(8-10)17-2/h3-8,14H,9H2,1-2H3
InChIKeyZHNDWEIILRLXDD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.87
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 62748257) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID62748257
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2cccc(OC)c2)n1
InChIInChI=1S/C13H15N3O/c1-14-9-11-6-7-15-13(16-11)10-4-3-5-12(8-10)17-2/h3-8,14H,9H2,1-2H3
InChIKeyZHNDWEIILRLXDD-UHFFFAOYSA-N
XLogP1.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748617
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
CID 113329743
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103399695
1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 107915528
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129
4-(chloromethyl)-2-(3,5-dimethoxyphenyl)pyrimidine
CID 103399713
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747200
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine (CID 62748257) is 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine is CNCc1ccnc(-c2cccc(OC)c2)n1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is ZHNDWEIILRLXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-9-11-6-7-15-13(16-11)10-4-3-5-12(8-10)17-2/h3-8,14H,9H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 229.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62748257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).