6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine

C13H12ClN3S — CID 80963140

IUPAC6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(Sc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C13H12ClN3S/c14-9-3-1-2-4-10(9)18-12-7-11(15)16-13(17-12)8-5-6-8/h1-4,7-8H,5-6H2,(H2,15,16,17)
InChIKeyPPJVPBBUMZNYLP-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.74
Rot. Bonds3

About 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine

6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine (PubChem CID 80963140) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
PubChem CID80963140
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(Sc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C13H12ClN3S/c14-9-3-1-2-4-10(9)18-12-7-11(15)16-13(17-12)8-5-6-8/h1-4,7-8H,5-6H2,(H2,15,16,17)
InChIKeyPPJVPBBUMZNYLP-UHFFFAOYSA-N
XLogP3.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80951185
2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80964212
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine
CID 115479558
6-(2-chlorophenyl)sulfanylpyrazin-2-amine
CID 80646915
4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
CID 80951106
4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
CID 103481973
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884
3-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 80964672
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
CID 102761364

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine (CID 80963140) is 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine is Nc1cc(Sc2ccccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine?
The InChIKey is PPJVPBBUMZNYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c14-9-3-1-2-4-10(9)18-12-7-11(15)16-13(17-12)8-5-6-8/h1-4,7-8H,5-6H2,(H2,15,16,17).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine?
6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine has a molecular weight of 277.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 80963140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).