2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine

C16H16N6 — CID 171446026

IUPAC2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2cccc(-c3cnccn3)c2)n1
InChIInChI=1S/C16H16N6/c1-11-8-15(22-16(17-2)20-11)21-13-5-3-4-12(9-13)14-10-18-6-7-19-14/h3-10H,1-2H3,(H2,17,20,21,22)
InChIKeyGLUOCAOMDYOJQC-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.03
Rot. Bonds4

About 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 171446026) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID171446026
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2cccc(-c3cnccn3)c2)n1
InChIInChI=1S/C16H16N6/c1-11-8-15(22-16(17-2)20-11)21-13-5-3-4-12(9-13)14-10-18-6-7-19-14/h3-10H,1-2H3,(H2,17,20,21,22)
InChIKeyGLUOCAOMDYOJQC-UHFFFAOYSA-N
XLogP3.03
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
4-N-(4-fluoro-3-methylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80824530
4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine
CID 108779753
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850538
4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80762709
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
3-[[2-(3-bromoanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194538

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine (CID 171446026) is 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine is CNc1nc(C)cc(Nc2cccc(-c3cnccn3)c2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GLUOCAOMDYOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-11-8-15(22-16(17-2)20-11)21-13-5-3-4-12(9-13)14-10-18-6-7-19-14/h3-10H,1-2H3,(H2,17,20,21,22).
What are the key properties of 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 292.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171446026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).