6-(4-methoxyphenyl)pyrimidine-2,4-diamine

C11H12N4O — CID 2808121

IUPAC6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyJVWGRSYEFVJHCX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.32
Rot. Bonds2

About 6-(4-methoxyphenyl)pyrimidine-2,4-diamine

6-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 2808121) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID2808121
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyJVWGRSYEFVJHCX-UHFFFAOYSA-N
XLogP1.32
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)pyrimidine-2,4-diamine 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

2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine
CID 2835211
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
2,4-Quinazolinediamine, 5-ethoxy-
CID 461900
(7-Ethoxy-4-methylquinazolin-2-yl)(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)amine
CID 658668
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
2,4-Diamino-5-(4-methylphenoxy)quinazoline
CID 4106338
5-[3-(2,5-Dimethoxyphenyl)prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25138223
5-[3-(2,5-Dimethoxyphenyl)prop-1-Yn-1-Yl]-6-Propylpyrimidine-2,4-Diamine
CID 25138224

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 2808121) is 6-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(-c2cc(N)nc(N)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is JVWGRSYEFVJHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15).
What are the key properties of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
6-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 216.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 2808121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).