2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine

C11H10ClN3S — CID 62336213

IUPAC2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccc(Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H10ClN3S/c1-16-9-4-2-8(3-5-9)14-10-6-7-13-11(12)15-10/h2-7H,1H3,(H,13,14,15)
InChIKeyWOESUXBAULSDQK-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine

2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 62336213) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID62336213
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccc(Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H10ClN3S/c1-16-9-4-2-8(3-5-9)14-10-6-7-13-11(12)15-10/h2-7H,1H3,(H,13,14,15)
InChIKeyWOESUXBAULSDQK-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(4-methylsulfanylphenyl)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

2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
4-[(2-chloropyrimidin-4-yl)amino]benzoic acid
CID 51063735
2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62814283
1-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]propan-2-one
CID 159435212
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
2-chloro-N-thiophen-3-ylpyrimidin-4-amine
CID 66354192
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
CID 60726000
2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine
CID 170312573
5-[(2-chloropyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 142717352
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine (CID 62336213) is 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine is CSc1ccc(Nc2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is WOESUXBAULSDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-16-9-4-2-8(3-5-9)14-10-6-7-13-11(12)15-10/h2-7H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 251.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62336213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).