6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine

C12H13ClN4S — CID 112724557

IUPAC6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)c2ccccn2)n1
InChIInChI=1S/C12H13ClN4S/c1-8(9-5-3-4-6-14-9)15-11-7-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQEPPXPFXULYQDY-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.42
Rot. Bonds4

About 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine (PubChem CID 112724557) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
PubChem CID112724557
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)c2ccccn2)n1
InChIInChI=1S/C12H13ClN4S/c1-8(9-5-3-4-6-14-9)15-11-7-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQEPPXPFXULYQDY-UHFFFAOYSA-N
XLogP3.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-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-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80953116
6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80545517
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 106214382
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyrazin-2-amine
CID 80906571
2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62154959
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine (CID 112724557) is 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine is CSc1nc(Cl)cc(NC(C)c2ccccn2)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The InChIKey is QEPPXPFXULYQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-8(9-5-3-4-6-14-9)15-11-7-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine has a molecular weight of 280.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112724557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).