6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine

C13H22ClN3 — CID 80940416

IUPAC6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)CC(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-5-6-12-16-11(14)8-13(17-12)15-10(4)7-9(2)3/h8-10H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyCFMRTUQWQQXJDW-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.93
Rot. Bonds6

About 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine

6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 80940416) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
PubChem CID80940416
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)CC(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-5-6-12-16-11(14)8-13(17-12)15-10(4)7-9(2)3/h8-10H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyCFMRTUQWQQXJDW-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(4-methylpentan-2-yl)-2-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

Related Compounds

6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 114156857
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 113401019
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436
4-[1-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192790
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80940573
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine (CID 80940416) is 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NC(C)CC(C)C)n1.
What is the InChIKey of 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is CFMRTUQWQQXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-5-6-12-16-11(14)8-13(17-12)15-10(4)7-9(2)3/h8-10H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine?
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).