4-chloro-6-(2-methylpropyl)pyrimidin-2-amine

C8H12ClN3 — CID 87563835

IUPAC4-chloro-6-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)Cc1cc(Cl)nc(N)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)3-6-4-7(9)12-8(10)11-6/h4-5H,3H2,1-2H3,(H2,10,11,12)
InChIKeyUIRCLEYGFYRYLR-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.91
Rot. Bonds2

About 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine

4-chloro-6-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 87563835) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methylpropyl)pyrimidin-2-amine
PubChem CID87563835
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name4-chloro-6-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)Cc1cc(Cl)nc(N)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)3-6-4-7(9)12-8(10)11-6/h4-5H,3H2,1-2H3,(H2,10,11,12)
InChIKeyUIRCLEYGFYRYLR-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2-methylpropyl)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 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine (CID 87563835) is 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine is CC(C)Cc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is UIRCLEYGFYRYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5(2)3-6-4-7(9)12-8(10)11-6/h4-5H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine?
4-chloro-6-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 185.66 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 87563835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).