6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine

C12H15N5 — CID 81133270

IUPAC6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccnc(C)n2)n1
InChIInChI=1S/C12H15N5/c1-8-3-4-11(13)12(16-8)15-7-10-5-6-14-9(2)17-10/h3-6H,7,13H2,1-2H3,(H,15,16)
InChIKeyMQMOHIQMMHCDPH-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.68
Rot. Bonds3

About 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine

6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine (PubChem CID 81133270) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
PubChem CID81133270
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccnc(C)n2)n1
InChIInChI=1S/C12H15N5/c1-8-3-4-11(13)12(16-8)15-7-10-5-6-14-9(2)17-10/h3-6H,7,13H2,1-2H3,(H,15,16)
InChIKeyMQMOHIQMMHCDPH-UHFFFAOYSA-N
XLogP1.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-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

5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
CID 114406194
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine
CID 80813250
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830
3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 115550367
5-bromo-4-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3,4-diamine
CID 103517973
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152
5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359219

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine (CID 81133270) is 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCc2ccnc(C)n2)n1.
What is the InChIKey of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
The InChIKey is MQMOHIQMMHCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-3-4-11(13)12(16-8)15-7-10-5-6-14-9(2)17-10/h3-6H,7,13H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 81133270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).