2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine

C10H12F3N3 — CID 169176251

IUPAC2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
SMILESCC1CC(C(F)(F)F)CN1c1ncccn1
InChIInChI=1S/C10H12F3N3/c1-7-5-8(10(11,12)13)6-16(7)9-14-3-2-4-15-9/h2-4,7-8H,5-6H2,1H3
InChIKeyDSAACSOATAGYBH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.25
Rot. Bonds1

About 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine

2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 169176251) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID169176251
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
SMILESCC1CC(C(F)(F)F)CN1c1ncccn1
InChIInChI=1S/C10H12F3N3/c1-7-5-8(10(11,12)13)6-16(7)9-14-3-2-4-15-9/h2-4,7-8H,5-6H2,1H3
InChIKeyDSAACSOATAGYBH-UHFFFAOYSA-N
XLogP2.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine (CID 169176251) is 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine is CC1CC(C(F)(F)F)CN1c1ncccn1.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is DSAACSOATAGYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-7-5-8(10(11,12)13)6-16(7)9-14-3-2-4-15-9/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine?
2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 231.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 169176251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).