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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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).