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

C10H11ClF3N3O — CID 106768533

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11ClF3N3O/c1-9(18)2-3-17(5-9)7-4-6(11)15-8(16-7)10(12,13)14/h4,18H,2-3,5H2,1H3
InChIKeyGXYIUYLGUWKYOW-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.11
Rot. Bonds1

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

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (PubChem CID 106768533) 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]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
PubChem CID106768533
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11ClF3N3O/c1-9(18)2-3-17(5-9)7-4-6(11)15-8(16-7)10(12,13)14/h4,18H,2-3,5H2,1H3
InChIKeyGXYIUYLGUWKYOW-UHFFFAOYSA-N
XLogP2.11
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-Dichloro-5-fluoro-4-pyrimidinyl)-3-methyl-3-pyrrolidinol
CID 86636974
(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
(2S)-2-[[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-methylamino]-3-methylbutan-1-ol
CID 152877406
(3S)-4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 156254931
(4S)-4-fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol
CID 156254945
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (CID 106768533) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The InChIKey is GXYIUYLGUWKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-9(18)2-3-17(5-9)7-4-6(11)15-8(16-7)10(12,13)14/h4,18H,2-3,5H2,1H3.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol has a molecular weight of 281.67 g/mol, XLogP of 2.11, 1 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]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 106768533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).