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

C9H12N4 — CID 116862607

IUPAC6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile
SMILESCC(C)Cc1nc(N)cc(C#N)n1
InChIInChI=1S/C9H12N4/c1-6(2)3-9-12-7(5-10)4-8(11)13-9/h4,6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyDMAYFRZBWSJTET-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.13
Rot. Bonds2

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

6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile (PubChem CID 116862607) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile
PubChem CID116862607
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile
SMILESCC(C)Cc1nc(N)cc(C#N)n1
InChIInChI=1S/C9H12N4/c1-6(2)3-9-12-7(5-10)4-8(11)13-9/h4,6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyDMAYFRZBWSJTET-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 6-amino-2-(2-methylpropyl)pyrimidine-4-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 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile (CID 116862607) is 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile is CC(C)Cc1nc(N)cc(C#N)n1.
What is the InChIKey of 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile?
The InChIKey is DMAYFRZBWSJTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)3-9-12-7(5-10)4-8(11)13-9/h4,6H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile?
6-amino-2-(2-methylpropyl)pyrimidine-4-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 6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116862607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).