1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol

C12H16F3N3O — CID 62404921

IUPAC1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-4-7-16-10(18-9)17-8-11(19)5-2-1-3-6-11/h4,7,19H,1-3,5-6,8H2,(H,16,17,18)
InChIKeyDINQWNCYPCCAQI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.60
Rot. Bonds3

About 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 62404921) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID62404921
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-4-7-16-10(18-9)17-8-11(19)5-2-1-3-6-11/h4,7,19H,1-3,5-6,8H2,(H,16,17,18)
InChIKeyDINQWNCYPCCAQI-UHFFFAOYSA-N
XLogP2.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (CID 62404921) is 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is OC1(CNc2nccc(C(F)(F)F)n2)CCCCC1.
What is the InChIKey of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is DINQWNCYPCCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)9-4-7-16-10(18-9)17-8-11(19)5-2-1-3-6-11/h4,7,19H,1-3,5-6,8H2,(H,16,17,18).
What are the key properties of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 275.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62404921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).