5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C24H33ClN4O2S — CID 177378175

IUPAC5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(C2CCC(N3CCCCC3)CC2)ncc1Cl
InChIInChI=1S/C24H33ClN4O2S/c1-17(2)32(30,31)22-9-5-4-8-21(22)27-24-20(25)16-26-23(28-24)18-10-12-19(13-11-18)29-14-6-3-7-15-29/h4-5,8-9,16-19H,3,6-7,10-15H2,1-2H3,(H,26,27,28)
InChIKeySGOWCARCPVHVOT-UHFFFAOYSA-N
MW477.07 g/mol
LogP5.57
Rot. Bonds6

About 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 177378175) has the molecular formula C24H33ClN4O2S and a molecular weight of 477.07 g/mol. Its IUPAC name is 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
PubChem CID177378175
Molecular FormulaC24H33ClN4O2S
Molecular Weight477.07 g/mol
Exact Mass476.20
IUPAC Name5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(C2CCC(N3CCCCC3)CC2)ncc1Cl
InChIInChI=1S/C24H33ClN4O2S/c1-17(2)32(30,31)22-9-5-4-8-21(22)27-24-20(25)16-26-23(28-24)18-10-12-19(13-11-18)29-14-6-3-7-15-29/h4-5,8-9,16-19H,3,6-7,10-15H2,1-2H3,(H,26,27,28)
InChIKeySGOWCARCPVHVOT-UHFFFAOYSA-N
XLogP5.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.07
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 177378175) is 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(C2CCC(N3CCCCC3)CC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is SGOWCARCPVHVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2S/c1-17(2)32(30,31)22-9-5-4-8-21(22)27-24-20(25)16-26-23(28-24)18-10-12-19(13-11-18)29-14-6-3-7-15-29/h4-5,8-9,16-19H,3,6-7,10-15H2,1-2H3,(H,26,27,28).
What are the key properties of 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 477.07 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-piperidin-1-ylcyclohexyl)-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 177378175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).