[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C20H24FN5O — CID 109362934

IUPAC[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H24FN5O/c1-15-22-17(20(27)26-8-4-5-9-26)14-19(23-15)25-12-10-24(11-13-25)18-7-3-2-6-16(18)21/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyLYQHNUZQKMCADY-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.49
Rot. Bonds3

About [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109362934) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109362934
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H24FN5O/c1-15-22-17(20(27)26-8-4-5-9-26)14-19(23-15)25-12-10-24(11-13-25)18-7-3-2-6-16(18)21/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyLYQHNUZQKMCADY-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
1-[4-[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109367746
N-butan-2-yl-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109362561
[6-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363660
[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361222
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 75538812
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538862
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
ethyl 4-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109363656
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109362934) is [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1nc(C(=O)N2CCCC2)cc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LYQHNUZQKMCADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-15-22-17(20(27)26-8-4-5-9-26)14-19(23-15)25-12-10-24(11-13-25)18-7-3-2-6-16(18)21/h2-3,6-7,14H,4-5,8-13H2,1H3.
What are the key properties of [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 369.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109362934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).