N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

C12H14N8 — CID 45190722

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCn1ccnc1CNc1nccc(-c2ncnn2C)n1
InChIInChI=1S/C12H14N8/c1-19-6-5-13-10(19)7-15-12-14-4-3-9(18-12)11-16-8-17-20(11)2/h3-6,8H,7H2,1-2H3,(H,14,15,18)
InChIKeyBHFGUCMLBXRWBV-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.62
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (PubChem CID 45190722) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
PubChem CID45190722
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCn1ccnc1CNc1nccc(-c2ncnn2C)n1
InChIInChI=1S/C12H14N8/c1-19-6-5-13-10(19)7-15-12-14-4-3-9(18-12)11-16-8-17-20(11)2/h3-6,8H,7H2,1-2H3,(H,14,15,18)
InChIKeyBHFGUCMLBXRWBV-UHFFFAOYSA-N
XLogP0.62
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (CID 45190722) is N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is Cn1ccnc1CNc1nccc(-c2ncnn2C)n1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The InChIKey is BHFGUCMLBXRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-19-6-5-13-10(19)7-15-12-14-4-3-9(18-12)11-16-8-17-20(11)2/h3-6,8H,7H2,1-2H3,(H,14,15,18).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine has a molecular weight of 270.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 45190722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).