3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

C12H15ClF3N3O — CID 106767689

IUPAC3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c13-9-7-10(18-11(17-9)12(14,15)16)19-5-1-3-8(19)4-2-6-20/h7-8,20H,1-6H2
InChIKeyDEHKWGXCDKLBSW-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.89
Rot. Bonds4

About 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 106767689) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID106767689
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c13-9-7-10(18-11(17-9)12(14,15)16)19-5-1-3-8(19)4-2-6-20/h7-8,20H,1-6H2
InChIKeyDEHKWGXCDKLBSW-UHFFFAOYSA-N
XLogP2.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-(2-Amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl)methanol
CID 76877854
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 106766891
(3S,5R)-1-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688674
(3S,5R)-1-[6-chloro-2-(2,2-difluoro-3-methylcyclopropyl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688706
(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 124681432
(2S)-2-[[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-methylamino]-3-methylbutan-1-ol
CID 152877406
[2-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106364055
[2-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106364118
2-[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 106767018
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106767029
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
CID 106767188
4-Chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (CID 106767689) is 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DEHKWGXCDKLBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-9-7-10(18-11(17-9)12(14,15)16)19-5-1-3-8(19)4-2-6-20/h7-8,20H,1-6H2.
What are the key properties of 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 309.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 106767689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).