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

C12H16F3N3O — CID 64911452

IUPAC2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-5-6-16-11(18-10)17-7-8-3-1-2-4-9(8)19/h5-6,8-9,19H,1-4,7H2,(H,16,17,18)
InChIKeyXRAZUCSHJVBAMG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds3

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

2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 64911452) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID64911452
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-5-6-16-11(18-10)17-7-8-3-1-2-4-9(8)19/h5-6,8-9,19H,1-4,7H2,(H,16,17,18)
InChIKeyXRAZUCSHJVBAMG-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (CID 64911452) is 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is XRAZUCSHJVBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-5-6-16-11(18-10)17-7-8-3-1-2-4-9(8)19/h5-6,8-9,19H,1-4,7H2,(H,16,17,18).
What are the key properties of 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 275.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).