2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

C16H18FN3 — CID 110096160

IUPAC2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(C2CCN(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H18FN3/c1-11-9-12(2)19-16(18-11)13-7-8-20(10-13)15-5-3-14(17)4-6-15/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyFNPANABRHYRQSO-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.23
Rot. Bonds2

About 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine (PubChem CID 110096160) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
PubChem CID110096160
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(C2CCN(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H18FN3/c1-11-9-12(2)19-16(18-11)13-7-8-20(10-13)15-5-3-14(17)4-6-15/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyFNPANABRHYRQSO-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine (CID 110096160) is 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(C2CCN(c3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The InChIKey is FNPANABRHYRQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-11-9-12(2)19-16(18-11)13-7-8-20(10-13)15-5-3-14(17)4-6-15/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine has a molecular weight of 271.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 110096160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).