4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

C10H12ClF3N4 — CID 42943704

IUPAC4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H12ClF3N4/c11-7-4-8(17-9(15)16-7)18-3-1-2-6(5-18)10(12,13)14/h4,6H,1-3,5H2,(H2,15,16,17)
InChIKeyGWAIMZTYRYMBKN-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.49
Rot. Bonds1

About 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 42943704) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID42943704
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC Name4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H12ClF3N4/c11-7-4-8(17-9(15)16-7)18-3-1-2-6(5-18)10(12,13)14/h4,6H,1-3,5H2,(H2,15,16,17)
InChIKeyGWAIMZTYRYMBKN-UHFFFAOYSA-N
XLogP2.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
4-Chloro-6-piperidin-1-ylpyrimidine
CID 597870
1-(2-Amino-6-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 1484519
1-(2-amino-6-chloropyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060469
4-Chloro-6-piperidin-1-yl-pyrimidin-2-ylamine
CID 1484289
4,6-Dichloro-2-(piperidin-1-yl)pyrimidine
CID 231258
4-Chloro-2,6-di(piperidin-1-yl)pyrimidine
CID 248641
6-Chloro-2-piperidin-1-ylpyrimidin-4-amine
CID 44474396
4-Fluoro-6-(1-piperidinyl)-2-pyrimidinamine
CID 676639
4-Chloro-N-methyl-6-[(2S)-2-(trifluoromethyl)-1-pyrrolidinyl]-2-pyrimidinamine
CID 58504551
4-Chloro-6-[2-(trifluoromethyl)-1-pyrrolidinyl]-2-pyrimidinamine
CID 58504792

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (CID 42943704) is 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is GWAIMZTYRYMBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c11-7-4-8(17-9(15)16-7)18-3-1-2-6(5-18)10(12,13)14/h4,6H,1-3,5H2,(H2,15,16,17).
What are the key properties of 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 280.68 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42943704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).