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

C11H13ClF3N3O — CID 102784150

IUPAC[1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(C(F)(F)F)nc(Cl)n2)C1CO
InChIInChI=1S/C11H13ClF3N3O/c1-6-2-3-18(7(6)5-19)9-4-8(11(13,14)15)16-10(12)17-9/h4,6-7,19H,2-3,5H2,1H3
InChIKeyWRKSJJVCJGVHBP-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.36
Rot. Bonds2

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

[1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102784150) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102784150
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name[1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(C(F)(F)F)nc(Cl)n2)C1CO
InChIInChI=1S/C11H13ClF3N3O/c1-6-2-3-18(7(6)5-19)9-4-8(11(13,14)15)16-10(12)17-9/h4,6-7,19H,2-3,5H2,1H3
InChIKeyWRKSJJVCJGVHBP-UHFFFAOYSA-N
XLogP2.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102784150) is [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2cc(C(F)(F)F)nc(Cl)n2)C1CO.
What is the InChIKey of [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is WRKSJJVCJGVHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-6-2-3-18(7(6)5-19)9-4-8(11(13,14)15)16-10(12)17-9/h4,6-7,19H,2-3,5H2,1H3.
What are the key properties of [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 295.69 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).