4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine

C12H15ClF3N3 — CID 151299196

IUPAC4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2ncc(C(F)(F)F)c(Cl)n2)CC1
InChIInChI=1S/C12H15ClF3N3/c1-17-8-4-2-7(3-5-8)11-18-6-9(10(13)19-11)12(14,15)16/h6-8,17H,2-5H2,1H3
InChIKeyOCBDILQIDHJMMQ-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.39
Rot. Bonds2

About 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine

4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine (PubChem CID 151299196) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine
PubChem CID151299196
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2ncc(C(F)(F)F)c(Cl)n2)CC1
InChIInChI=1S/C12H15ClF3N3/c1-17-8-4-2-7(3-5-8)11-18-6-9(10(13)19-11)12(14,15)16/h6-8,17H,2-5H2,1H3
InChIKeyOCBDILQIDHJMMQ-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-fluoro-N-[(2-methylpyrimidin-5-yl)methyl]cyclohexan-1-amine
CID 164639629
(4-Chloro-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexylamine
CID 21923093
4-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 21923096
2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58458942
5-Trifluoro-2-piperidin-4-ylpyrimidine
CID 71114360
2-chloro-5-fluoro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 79080515
2-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine
CID 84037976
N1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methylcyclohexane-1,3-diamine
CID 86667457
[4-Chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine
CID 87855769
1-[4-chloro-2-(difluoromethyl)pyrimidin-5-yl]-N,2-dimethylpropan-1-amine
CID 88021341
4-chloro-N-(3-ethyl-2-methyldecyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 89774476
4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 90341292

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine (CID 151299196) is 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine is CNC1CCC(c2ncc(C(F)(F)F)c(Cl)n2)CC1.
What is the InChIKey of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine?
The InChIKey is OCBDILQIDHJMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-17-8-4-2-7(3-5-8)11-18-6-9(10(13)19-11)12(14,15)16/h6-8,17H,2-5H2,1H3.
What are the key properties of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine?
4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine has a molecular weight of 293.72 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 151299196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).