3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol

C11H13ClF3N3O — CID 106768008

IUPAC3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c1-18(5-6-2-7(19)3-6)9-4-8(12)16-10(17-9)11(13,14)15/h4,6-7,19H,2-3,5H2,1H3
InChIKeyUEGMVCUCGQWCJP-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.36
Rot. Bonds3

About 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol

3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol (PubChem CID 106768008) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
PubChem CID106768008
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c1-18(5-6-2-7(19)3-6)9-4-8(12)16-10(17-9)11(13,14)15/h4,6-7,19H,2-3,5H2,1H3
InChIKeyUEGMVCUCGQWCJP-UHFFFAOYSA-N
XLogP2.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol (CID 106768008) is 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is UEGMVCUCGQWCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-18(5-6-2-7(19)3-6)9-4-8(12)16-10(17-9)11(13,14)15/h4,6-7,19H,2-3,5H2,1H3.
What are the key properties of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol?
3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 295.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 106768008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).