5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine

C12H13N3O — CID 116976946

IUPAC5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccc(OC)cc2)cn1
InChIInChI=1S/C12H13N3O/c1-13-12-14-7-10(8-15-12)9-3-5-11(16-2)6-4-9/h3-8H,1-2H3,(H,13,14,15)
InChIKeyOBMQIIDRCOXNQN-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.19
Rot. Bonds3

About 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine

5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine (PubChem CID 116976946) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
PubChem CID116976946
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccc(OC)cc2)cn1
InChIInChI=1S/C12H13N3O/c1-13-12-14-7-10(8-15-12)9-3-5-11(16-2)6-4-9/h3-8H,1-2H3,(H,13,14,15)
InChIKeyOBMQIIDRCOXNQN-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

5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine
CID 4685164
N-methyl-5-naphthalen-2-ylpyrimidin-2-amine
CID 116977056
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067
5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
CID 116976965
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine
CID 70484472
1-N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-4-methylbenzene-1,3-diamine
CID 73010916
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791
2,3,5-tris(4-methoxyphenyl)pyridine
CID 10834626

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine (CID 116976946) is 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2ccc(OC)cc2)cn1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is OBMQIIDRCOXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-12-14-7-10(8-15-12)9-3-5-11(16-2)6-4-9/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine?
5-(4-methoxyphenyl)-N-methylpyrimidin-2-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 5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116976946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).