3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol

C10H11ClF3N3O2 — CID 106102714

IUPAC3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESOC1(CNc2cc(Cl)nc(C(F)(F)F)n2)CCOC1
InChIInChI=1S/C10H11ClF3N3O2/c11-6-3-7(17-8(16-6)10(12,13)14)15-4-9(18)1-2-19-5-9/h3,18H,1-2,4-5H2,(H,15,16,17)
InChIKeyHFCWXKPWICZUMF-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.71
Rot. Bonds3

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

3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 106102714) has the molecular formula C10H11ClF3N3O2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID106102714
Molecular FormulaC10H11ClF3N3O2
Molecular Weight297.66 g/mol
Exact Mass297.05
IUPAC Name3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESOC1(CNc2cc(Cl)nc(C(F)(F)F)n2)CCOC1
InChIInChI=1S/C10H11ClF3N3O2/c11-6-3-7(17-8(16-6)10(12,13)14)15-4-9(18)1-2-19-5-9/h3,18H,1-2,4-5H2,(H,15,16,17)
InChIKeyHFCWXKPWICZUMF-UHFFFAOYSA-N
XLogP1.71
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 114562791
4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 106768477
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
1-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 106772295
3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103610
2-tert-butyl-6-chloro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80951749
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103286
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143616
3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 154751499
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (CID 106102714) is 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is OC1(CNc2cc(Cl)nc(C(F)(F)F)n2)CCOC1.
What is the InChIKey of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is HFCWXKPWICZUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2/c11-6-3-7(17-8(16-6)10(12,13)14)15-4-9(18)1-2-19-5-9/h3,18H,1-2,4-5H2,(H,15,16,17).
What are the key properties of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 297.66 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).