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

C16H24F3N5O2S — CID 175917456

IUPAC6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(Nc2nc(N)c(C(F)(F)F)c(C3CCCC3)n2)CC1
InChIInChI=1S/C16H24F3N5O2S/c1-27(25,26)24-8-6-11(7-9-24)21-15-22-13(10-4-2-3-5-10)12(14(20)23-15)16(17,18)19/h10-11H,2-9H2,1H3,(H3,20,21,22,23)
InChIKeyDPYSXHRMUXUXPF-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.57
Rot. Bonds4

About 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 175917456) has the molecular formula C16H24F3N5O2S and a molecular weight of 407.46 g/mol. Its IUPAC name is 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID175917456
Molecular FormulaC16H24F3N5O2S
Molecular Weight407.46 g/mol
Exact Mass407.16
IUPAC Name6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(Nc2nc(N)c(C(F)(F)F)c(C3CCCC3)n2)CC1
InChIInChI=1S/C16H24F3N5O2S/c1-27(25,26)24-8-6-11(7-9-24)21-15-22-13(10-4-2-3-5-10)12(14(20)23-15)16(17,18)19/h10-11H,2-9H2,1H3,(H3,20,21,22,23)
InChIKeyDPYSXHRMUXUXPF-UHFFFAOYSA-N
XLogP2.57
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 175917456) is 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CS(=O)(=O)N1CCC(Nc2nc(N)c(C(F)(F)F)c(C3CCCC3)n2)CC1.
What is the InChIKey of 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DPYSXHRMUXUXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O2S/c1-27(25,26)24-8-6-11(7-9-24)21-15-22-13(10-4-2-3-5-10)12(14(20)23-15)16(17,18)19/h10-11H,2-9H2,1H3,(H3,20,21,22,23).
What are the key properties of 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 407.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175917456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).