N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C18H23F3N6O2S — CID 126890832

IUPACN-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(S(=O)(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)cn1C
InChIInChI=1S/C18H23F3N6O2S/c1-12-24-17(10-25(12)2)30(28,29)26-7-5-14(6-8-26)27(13-3-4-13)16-9-15(18(19,20)21)22-11-23-16/h9-11,13-14H,3-8H2,1-2H3
InChIKeyJOIODJRPIDLKQZ-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.36
Rot. Bonds5

About N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890832) has the molecular formula C18H23F3N6O2S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890832
Molecular FormulaC18H23F3N6O2S
Molecular Weight444.48 g/mol
Exact Mass444.16
IUPAC NameN-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(S(=O)(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)cn1C
InChIInChI=1S/C18H23F3N6O2S/c1-12-24-17(10-25(12)2)30(28,29)26-7-5-14(6-8-26)27(13-3-4-13)16-9-15(18(19,20)21)22-11-23-16/h9-11,13-14H,3-8H2,1-2H3
InChIKeyJOIODJRPIDLKQZ-UHFFFAOYSA-N
XLogP2.36
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine
CID 126891509
cyclopropyl-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126890785
5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126890921
N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890840
4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890925
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890944
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126891020
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 63259384
3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 126891000

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890832) is N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(S(=O)(=O)N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)cn1C.
What is the InChIKey of N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JOIODJRPIDLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O2S/c1-12-24-17(10-25(12)2)30(28,29)26-7-5-14(6-8-26)27(13-3-4-13)16-9-15(18(19,20)21)22-11-23-16/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 444.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).