6-chloro-2-methyl-5-propylpyrimidin-4-amine

C8H12ClN3 — CID 3025150

IUPAC6-chloro-2-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C8H12ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeySXQMJEPZOPQUMZ-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.97
Rot. Bonds2

About 6-chloro-2-methyl-5-propylpyrimidin-4-amine

6-chloro-2-methyl-5-propylpyrimidin-4-amine (PubChem CID 3025150) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 6-chloro-2-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-5-propylpyrimidin-4-amine
PubChem CID3025150
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name6-chloro-2-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C8H12ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeySXQMJEPZOPQUMZ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-methyl-5-propylpyrimidin-4-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 6-chloro-2-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-5-propylpyrimidin-4-amine (CID 3025150) is 6-chloro-2-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-5-propylpyrimidin-4-amine is CCCc1c(N)nc(C)nc1Cl.
What is the InChIKey of 6-chloro-2-methyl-5-propylpyrimidin-4-amine?
The InChIKey is SXQMJEPZOPQUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 6-chloro-2-methyl-5-propylpyrimidin-4-amine?
6-chloro-2-methyl-5-propylpyrimidin-4-amine has a molecular weight of 185.66 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 3025150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).