N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H16F3N3 — CID 62747106

IUPACN-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccncn2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)9-1-3-10(4-2-9)17-7-11-5-6-16-8-18-11/h5-6,8-10,17H,1-4,7H2
InChIKeyFCZSTEMYNBXSBQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.69
Rot. Bonds3

About N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 62747106) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID62747106
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccncn2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)9-1-3-10(4-2-9)17-7-11-5-6-16-8-18-11/h5-6,8-10,17H,1-4,7H2
InChIKeyFCZSTEMYNBXSBQ-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
(3aS,6aS)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 24849050
Rac-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412150
(3aR,6aR)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412308
(2R,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412388
(2S,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412389
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466270
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817589
(3aS,6aS)-5-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412314
N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72912703
1-(4-Trifluoromethylpyrimidin-2-yl)piperidin-4-ylamine
CID 2796122
2-(Pyrrolidin-2-yl)-4-(trifluoromethyl)pyrimidine hydrochloride
CID 122156851

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 62747106) is N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCc2ccncn2)CC1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FCZSTEMYNBXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)9-1-3-10(4-2-9)17-7-11-5-6-16-8-18-11/h5-6,8-10,17H,1-4,7H2.
What are the key properties of N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 62747106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).