4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine

C15H15ClFN3 — CID 141105921

IUPAC4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCCN1c1nccc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H15ClFN3/c1-10-3-2-8-20(10)15-18-7-6-14(19-15)11-4-5-13(17)12(16)9-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyKKKPCUFNSGAZKW-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.92
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine

4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine (PubChem CID 141105921) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine
PubChem CID141105921
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCCN1c1nccc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H15ClFN3/c1-10-3-2-8-20(10)15-18-7-6-14(19-15)11-4-5-13(17)12(16)9-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyKKKPCUFNSGAZKW-UHFFFAOYSA-N
XLogP3.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine (CID 141105921) is 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine is CC1CCCN1c1nccc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine?
The InChIKey is KKKPCUFNSGAZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-10-3-2-8-20(10)15-18-7-6-14(19-15)11-4-5-13(17)12(16)9-11/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine?
4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine has a molecular weight of 291.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 141105921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).