6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine

C13H14ClN3S — CID 80891542

IUPAC6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3S/c1-3-11-12(15-2)16-8-17-13(11)18-10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyQSWKFMXDTKSIDM-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.89
Rot. Bonds4

About 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine

6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80891542) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80891542
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3S/c1-3-11-12(15-2)16-8-17-13(11)18-10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyQSWKFMXDTKSIDM-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-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-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
CID 80887870
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 103291539
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 114073878
N-methyl-6-(3-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80885957

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine (CID 80891542) is 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1Sc1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is QSWKFMXDTKSIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-3-11-12(15-2)16-8-17-13(11)18-10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 279.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80891542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).