[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol

C13H11ClF3N3O — CID 106197136

IUPAC[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C13H11ClF3N3O/c14-12-19-10(13(15,16)17)5-11(20-12)18-6-8-2-1-3-9(4-8)7-21/h1-5,21H,6-7H2,(H,18,19,20)
InChIKeyVNKZIQVGXLPRLW-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.25
Rot. Bonds4

About [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol

[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol (PubChem CID 106197136) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
PubChem CID106197136
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C13H11ClF3N3O/c14-12-19-10(13(15,16)17)5-11(20-12)18-6-8-2-1-3-9(4-8)7-21/h1-5,21H,6-7H2,(H,18,19,20)
InChIKeyVNKZIQVGXLPRLW-UHFFFAOYSA-N
XLogP3.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562584
2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114156673
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 106193620
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562494

Frequently Asked Questions

What is the IUPAC name of [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol (CID 106197136) is [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol is OCc1cccc(CNc2cc(C(F)(F)F)nc(Cl)n2)c1.
What is the InChIKey of [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol?
The InChIKey is VNKZIQVGXLPRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c14-12-19-10(13(15,16)17)5-11(20-12)18-6-8-2-1-3-9(4-8)7-21/h1-5,21H,6-7H2,(H,18,19,20).
What are the key properties of [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol?
[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol has a molecular weight of 317.70 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 106197136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).