4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine

C11H15F3N4 — CID 18460887

IUPAC4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)9-5-6-16-10(18-9)17-8-3-1-7(15)2-4-8/h5-8H,1-4,15H2,(H,16,17,18)
InChIKeyUTVDGQMZSPEENX-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.18
Rot. Bonds2

About 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 18460887) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID18460887
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)9-5-6-16-10(18-9)17-8-3-1-7(15)2-4-8/h5-8H,1-4,15H2,(H,16,17,18)
InChIKeyUTVDGQMZSPEENX-UHFFFAOYSA-N
XLogP2.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-oxothian-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 104576530
N-(1,1-dioxothian-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584316
methyl 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 115616833
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 84583285
4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 75414193
4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-2-one
CID 103952529
N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133381110
2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine
CID 114632622
N-(1-cyclopentylpyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133292243
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133386927
N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64923601

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 18460887) is 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is UTVDGQMZSPEENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)9-5-6-16-10(18-9)17-8-3-1-7(15)2-4-8/h5-8H,1-4,15H2,(H,16,17,18).
What are the key properties of 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 18460887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).