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

C11H15ClF3N3O — CID 106767938

IUPAC3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-3-10(19,4-2)6-16-8-5-7(12)17-9(18-8)11(13,14)15/h5,19H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyQJXIQMHNTOSYQM-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.11
Rot. Bonds5

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

3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol (PubChem CID 106767938) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
PubChem CID106767938
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3O/c1-3-10(19,4-2)6-16-8-5-7(12)17-9(18-8)11(13,14)15/h5,19H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyQJXIQMHNTOSYQM-UHFFFAOYSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((6-Chloro-2-methyl-4-pyrimidinyl)amino)-1-ethanol
CID 25918906
1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutanol
CID 385216
6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
CID 79098170
1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentanol
CID 385217
1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropanol
CID 385220
6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 62923797
6-chloro-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 63227596
6-chloro-2-methyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 79040628
6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80936008
6-chloro-2-ethyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80936104
6-chloro-2-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80936685
6-chloro-2-propyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80938798

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol (CID 106767938) is 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
The InChIKey is QJXIQMHNTOSYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-3-10(19,4-2)6-16-8-5-7(12)17-9(18-8)11(13,14)15/h5,19H,3-4,6H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol has a molecular weight of 297.71 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 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]amino]methyl]pentan-3-ol is sourced from PubChem (CID 106767938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).