4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol

C12H15ClF3N3O2 — CID 106768477

IUPAC4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O2/c1-19(7-11(20)2-4-21-5-3-11)9-6-8(13)17-10(18-9)12(14,15)16/h6,20H,2-5,7H2,1H3
InChIKeyQCJFEOUMSHVZOX-UHFFFAOYSA-N
MW325.72 g/mol
LogP2.13
Rot. Bonds3

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

4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol (PubChem CID 106768477) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
PubChem CID106768477
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC Name4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O2/c1-19(7-11(20)2-4-21-5-3-11)9-6-8(13)17-10(18-9)12(14,15)16/h6,20H,2-5,7H2,1H3
InChIKeyQCJFEOUMSHVZOX-UHFFFAOYSA-N
XLogP2.13
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014
3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106102714
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954261
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol (CID 106768477) is 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
The InChIKey is QCJFEOUMSHVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O2/c1-19(7-11(20)2-4-21-5-3-11)9-6-8(13)17-10(18-9)12(14,15)16/h6,20H,2-5,7H2,1H3.
What are the key properties of 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol?
4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol has a molecular weight of 325.72 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 106768477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).