6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

C13H16N4 — CID 90189190

IUPAC6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2cccc(C)c2C)nc(N)n1
InChIInChI=1S/C13H16N4/c1-8-5-4-6-10(9(8)2)11-7-12(15-3)17-13(14)16-11/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyWCJDHMSUZXVPCK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.38
Rot. Bonds2

About 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 90189190) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID90189190
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2cccc(C)c2C)nc(N)n1
InChIInChI=1S/C13H16N4/c1-8-5-4-6-10(9(8)2)11-7-12(15-3)17-13(14)16-11/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyWCJDHMSUZXVPCK-UHFFFAOYSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 90189190) is 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2cccc(C)c2C)nc(N)n1.
What is the InChIKey of 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is WCJDHMSUZXVPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-5-4-6-10(9(8)2)11-7-12(15-3)17-13(14)16-11/h4-7H,1-3H3,(H3,14,15,16,17).
What are the key properties of 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 90189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).