6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H16ClF3N4 — CID 106193711

IUPAC6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16ClF3N4/c1-2-20-5-3-8(4-6-20)17-10-7-9(13)18-11(19-10)12(14,15)16/h7-8H,2-6H2,1H3,(H,17,18,19)
InChIKeyWNSWAIIYLHFEKU-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.05
Rot. Bonds3

About 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106193711) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106193711
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16ClF3N4/c1-2-20-5-3-8(4-6-20)17-10-7-9(13)18-11(19-10)12(14,15)16/h7-8H,2-6H2,1H3,(H,17,18,19)
InChIKeyWNSWAIIYLHFEKU-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 106193671
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768215
6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767551
2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 80953646
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
N-(1-ethylpiperidin-4-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 60667015
1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 66480329
4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771197
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 106770397

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106193711) is 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCN1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WNSWAIIYLHFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4/c1-2-20-5-3-8(4-6-20)17-10-7-9(13)18-11(19-10)12(14,15)16/h7-8H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 308.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106193711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).