6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine

C16H18ClN3O2S — CID 133421758

IUPAC6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
SMILESCS(=O)(=O)CCc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C16H18ClN3O2S/c1-23(21,22)9-8-11-2-6-13(7-3-11)18-15-10-14(17)19-16(20-15)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19,20)
InChIKeyZKNZFYWLAHTTKT-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.34
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine (PubChem CID 133421758) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
PubChem CID133421758
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
SMILESCS(=O)(=O)CCc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C16H18ClN3O2S/c1-23(21,22)9-8-11-2-6-13(7-3-11)18-15-10-14(17)19-16(20-15)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19,20)
InChIKeyZKNZFYWLAHTTKT-UHFFFAOYSA-N
XLogP3.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
CID 80949261
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile
CID 133398085
6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80951605
6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133398088
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775
6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
CID 107576837
6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459310
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine (CID 133421758) is 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine is CS(=O)(=O)CCc1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ZKNZFYWLAHTTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-23(21,22)9-8-11-2-6-13(7-3-11)18-15-10-14(17)19-16(20-15)12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine has a molecular weight of 351.86 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 133421758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).