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

C10H11ClF3N3O — CID 106768232

IUPAC[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11ClF3N3O/c11-7-3-8(16-9(15-7)10(12,13)14)17-2-1-6(4-17)5-18/h3,6,18H,1-2,4-5H2
InChIKeyBGJHUVBSLHPISC-UHFFFAOYSA-N
MW281.67 g/mol
LogP1.97
Rot. Bonds2

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

[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 106768232) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID106768232
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11ClF3N3O/c11-7-3-8(16-9(15-7)10(12,13)14)17-2-1-6(4-17)5-18/h3,6,18H,1-2,4-5H2
InChIKeyBGJHUVBSLHPISC-UHFFFAOYSA-N
XLogP1.97
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
2-[(3R,4S)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550216
2-[(3S,4R)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550217
2-[(4R)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550218
4-Chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid
CID 145433371
(2S)-2-[[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-methylamino]-3-methylbutan-1-ol
CID 152877406
2-[1-(6-Chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 156493784
2-[(4S)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 169689236
1-[2-(2-Aminoethenyl)-6-chloropyrimidin-4-yl]-4,4-difluoropyrrolidin-3-ol
CID 173980056

Frequently Asked Questions

What is the IUPAC name of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 106768232) is [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is OCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is BGJHUVBSLHPISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c11-7-3-8(16-9(15-7)10(12,13)14)17-2-1-6(4-17)5-18/h3,6,18H,1-2,4-5H2.
What are the key properties of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 281.67 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 106768232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).