4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C16H24F3N5O2S — CID 169274070

IUPAC4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(NC3CCCC3)n2)CC1
InChIInChI=1S/C16H24F3N5O2S/c1-27(25,26)24-8-6-12(7-9-24)22-15-20-10-13(16(17,18)19)14(23-15)21-11-4-2-3-5-11/h10-12H,2-9H2,1H3,(H2,20,21,22,23)
InChIKeyXKUHRDAIVSQDKB-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.69
Rot. Bonds5

About 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 169274070) has the molecular formula C16H24F3N5O2S and a molecular weight of 407.46 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID169274070
Molecular FormulaC16H24F3N5O2S
Molecular Weight407.46 g/mol
Exact Mass407.16
IUPAC Name4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(NC3CCCC3)n2)CC1
InChIInChI=1S/C16H24F3N5O2S/c1-27(25,26)24-8-6-12(7-9-24)22-15-20-10-13(16(17,18)19)14(23-15)21-11-4-2-3-5-11/h10-12H,2-9H2,1H3,(H2,20,21,22,23)
InChIKeyXKUHRDAIVSQDKB-UHFFFAOYSA-N
XLogP2.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50960313
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 97130364
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97137441
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
CID 67261839
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 100655032
2-chloro-N-(1-methylsulfonylazetidin-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 118464616
4-N-[(1-methylsulfonylpiperidin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126352
4-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126356
N-[2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine
CID 141126364
N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine
CID 141126366
N-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine
CID 141126373

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 169274070) is 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(NC3CCCC3)n2)CC1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XKUHRDAIVSQDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O2S/c1-27(25,26)24-8-6-12(7-9-24)22-15-20-10-13(16(17,18)19)14(23-15)21-11-4-2-3-5-11/h10-12H,2-9H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 407.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 169274070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).