4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C12H15ClF3N3O — CID 106137420

IUPAC4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15ClF3N3O/c13-9-5-10(19-11(18-9)12(14,15)16)17-6-7-1-3-8(20)4-2-7/h5,7-8,20H,1-4,6H2,(H,17,18,19)
InChIKeyUNCUYQFMKCWMQF-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.11
Rot. Bonds3

About 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106137420) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106137420
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15ClF3N3O/c13-9-5-10(19-11(18-9)12(14,15)16)17-6-7-1-3-8(20)4-2-7/h5,7-8,20H,1-4,6H2,(H,17,18,19)
InChIKeyUNCUYQFMKCWMQF-UHFFFAOYSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 106137420) is 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is OC1CCC(CNc2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is UNCUYQFMKCWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-9-5-10(19-11(18-9)12(14,15)16)17-6-7-1-3-8(20)4-2-7/h5,7-8,20H,1-4,6H2,(H,17,18,19).
What are the key properties of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 309.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106137420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).