2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine

C10H12F3N3 — CID 159083911

IUPAC2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine
SMILESCc1ncc(C(F)(F)F)c(N2CCCC2)n1
InChIInChI=1S/C10H12F3N3/c1-7-14-6-8(10(11,12)13)9(15-7)16-4-2-3-5-16/h6H,2-5H2,1H3
InChIKeyKBEXBDCMRMQULA-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.40
Rot. Bonds1

About 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine

2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 159083911) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine
PubChem CID159083911
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine
SMILESCc1ncc(C(F)(F)F)c(N2CCCC2)n1
InChIInChI=1S/C10H12F3N3/c1-7-14-6-8(10(11,12)13)9(15-7)16-4-2-3-5-16/h6H,2-5H2,1H3
InChIKeyKBEXBDCMRMQULA-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine (CID 159083911) is 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine is Cc1ncc(C(F)(F)F)c(N2CCCC2)n1.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is KBEXBDCMRMQULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-7-14-6-8(10(11,12)13)9(15-7)16-4-2-3-5-16/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine?
2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 231.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159083911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).