2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine

C12H13N3O — CID 62133352

IUPAC2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
SMILESCOc1ccc(-c2ncc(N)cn2)cc1C
InChIInChI=1S/C12H13N3O/c1-8-5-9(3-4-11(8)16-2)12-14-6-10(13)7-15-12/h3-7H,13H2,1-2H3
InChIKeyQLIYLFOXERCVDG-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine

2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine (PubChem CID 62133352) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
PubChem CID62133352
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
SMILESCOc1ccc(-c2ncc(N)cn2)cc1C
InChIInChI=1S/C12H13N3O/c1-8-5-9(3-4-11(8)16-2)12-14-6-10(13)7-15-12/h3-7H,13H2,1-2H3
InChIKeyQLIYLFOXERCVDG-UHFFFAOYSA-N
XLogP2.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine
CID 114245103
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
CID 61146611
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine (CID 62133352) is 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine is COc1ccc(-c2ncc(N)cn2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine?
The InChIKey is QLIYLFOXERCVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-5-9(3-4-11(8)16-2)12-14-6-10(13)7-15-12/h3-7H,13H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine?
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine has a molecular weight of 215.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine is sourced from PubChem (CID 62133352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).