6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine

C14H15Cl2N3O2S — CID 87636483

IUPAC6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(S(C)(=O)=O)nc(Cl)c1-c1ccccc1Cl
InChIInChI=1S/C14H15Cl2N3O2S/c1-8(2)17-13-11(9-6-4-5-7-10(9)15)12(16)18-14(19-13)22(3,20)21/h4-8H,1-3H3,(H,17,18,19)
InChIKeyQKSBMCWUAPGXDF-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.67
Rot. Bonds4

About 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine

6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 87636483) has the molecular formula C14H15Cl2N3O2S and a molecular weight of 360.27 g/mol. Its IUPAC name is 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID87636483
Molecular FormulaC14H15Cl2N3O2S
Molecular Weight360.27 g/mol
Exact Mass359.03
IUPAC Name6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(S(C)(=O)=O)nc(Cl)c1-c1ccccc1Cl
InChIInChI=1S/C14H15Cl2N3O2S/c1-8(2)17-13-11(9-6-4-5-7-10(9)15)12(16)18-14(19-13)22(3,20)21/h4-8H,1-3H3,(H,17,18,19)
InChIKeyQKSBMCWUAPGXDF-UHFFFAOYSA-N
XLogP3.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloroanilino)-6-(2-chlorophenyl)-2-methylsulfonylpyrimidine-5-carbaldehyde
CID 155664577
6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
CID 23042428
4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
CID 79439039
4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
CID 10158211
4,6-dichloro-5-(2-fluorophenyl)-2-(1-methylsulfonylethyl)pyrimidine
CID 116633044
4-chloro-2-methylsulfonyl-5-phenylpyrimidine
CID 24903705
anthracene-9,10-dione;methanesulfonyl chloride
CID 174964861
4,6-dichloro-2-(1-methylsulfonylethyl)-5-phenylpyrimidine
CID 116633013
3-(2-chlorophenyl)-6-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 68880248
5-benzyl-4-chloro-2-methylsulfonyl-6-pyrrolidin-1-ylpyrimidine
CID 58922965
5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 104621709
6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine
CID 11999308

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine (CID 87636483) is 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1nc(S(C)(=O)=O)nc(Cl)c1-c1ccccc1Cl.
What is the InChIKey of 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is QKSBMCWUAPGXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S/c1-8(2)17-13-11(9-6-4-5-7-10(9)15)12(16)18-14(19-13)22(3,20)21/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 360.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 87636483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).