4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile

C9H12N4 — CID 131616898

IUPAC4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile
SMILESCC(C)Cc1cc(N)nc(C#N)n1
InChIInChI=1S/C9H12N4/c1-6(2)3-7-4-8(11)13-9(5-10)12-7/h4,6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyNLLPABCJLPOJLG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.13
Rot. Bonds2

About 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile

4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile (PubChem CID 131616898) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile
PubChem CID131616898
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile
SMILESCC(C)Cc1cc(N)nc(C#N)n1
InChIInChI=1S/C9H12N4/c1-6(2)3-7-4-8(11)13-9(5-10)12-7/h4,6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyNLLPABCJLPOJLG-UHFFFAOYSA-N
XLogP1.13
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile 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 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile (CID 131616898) is 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile is CC(C)Cc1cc(N)nc(C#N)n1.
What is the InChIKey of 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile?
The InChIKey is NLLPABCJLPOJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)3-7-4-8(11)13-9(5-10)12-7/h4,6H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile?
4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 131616898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).