2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine

C16H18FN3 — CID 133341703

IUPAC2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC(C)C2c2cccc(F)c2)n1
InChIInChI=1S/C16H18FN3/c1-11-7-9-20(16-18-8-6-12(2)19-16)15(11)13-4-3-5-14(17)10-13/h3-6,8,10-11,15H,7,9H2,1-2H3
InChIKeyRQNZOXYVXQDDDW-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.51
Rot. Bonds2

About 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine

2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine (PubChem CID 133341703) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine
PubChem CID133341703
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC(C)C2c2cccc(F)c2)n1
InChIInChI=1S/C16H18FN3/c1-11-7-9-20(16-18-8-6-12(2)19-16)15(11)13-4-3-5-14(17)10-13/h3-6,8,10-11,15H,7,9H2,1-2H3
InChIKeyRQNZOXYVXQDDDW-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine (CID 133341703) is 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine is Cc1ccnc(N2CCC(C)C2c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine?
The InChIKey is RQNZOXYVXQDDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-11-7-9-20(16-18-8-6-12(2)19-16)15(11)13-4-3-5-14(17)10-13/h3-6,8,10-11,15H,7,9H2,1-2H3.
What are the key properties of 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine?
2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine has a molecular weight of 271.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 133341703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).