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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Related Compounds

4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine
CID 125014647
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
CID 126892916
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854
5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163354705
4,6-dimethyl-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidine
CID 175652484
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842387
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
1-[3-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110256208
1-(4-fluorophenyl)-4,6-dimethyl-1,5-diazocane
CID 54973091

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).