4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine

C9H9ClF3N3 — CID 46738255

IUPAC4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C9H9ClF3N3/c10-6-5-7(16-3-1-2-4-16)15-8(14-6)9(11,12)13/h5H,1-4H2
InChIKeyYKFALRODPJFKTJ-UHFFFAOYSA-N
MW251.64 g/mol
LogP2.75
Rot. Bonds1

About 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine

4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 46738255) has the molecular formula C9H9ClF3N3 and a molecular weight of 251.64 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine
PubChem CID46738255
Molecular FormulaC9H9ClF3N3
Molecular Weight251.64 g/mol
Exact Mass251.04
IUPAC Name4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C9H9ClF3N3/c10-6-5-7(16-3-1-2-4-16)15-8(14-6)9(11,12)13/h5H,1-4H2
InChIKeyYKFALRODPJFKTJ-UHFFFAOYSA-N
XLogP2.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine (CID 46738255) is 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is YKFALRODPJFKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3/c10-6-5-7(16-3-1-2-4-16)15-8(14-6)9(11,12)13/h5H,1-4H2.
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 251.64 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 46738255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).