[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol

C12H15ClF3N3O — CID 106364118

IUPAC[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c13-9-5-10(19-11(18-9)12(14,15)16)17-8-4-2-1-3-7(8)6-20/h5,7-8,20H,1-4,6H2,(H,17,18,19)
InChIKeyVPFDABFTTNBCRV-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.11
Rot. Bonds3

About [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol

[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 106364118) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID106364118
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c13-9-5-10(19-11(18-9)12(14,15)16)17-8-4-2-1-3-7(8)6-20/h5,7-8,20H,1-4,6H2,(H,17,18,19)
InChIKeyVPFDABFTTNBCRV-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 [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 106364118) is [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol is OCC1CCCCC1Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is VPFDABFTTNBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-9-5-10(19-11(18-9)12(14,15)16)17-8-4-2-1-3-7(8)6-20/h5,7-8,20H,1-4,6H2,(H,17,18,19).
What are the key properties of [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol 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 [2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106364118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).