6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one

C20H25FN4O3 — CID 141295069

IUPAC6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one
SMILESCCN1CCN(C(=O)c2nc(Cc3ccc(F)cc3)n(C)c(=O)c2OC)CC1
InChIInChI=1S/C20H25FN4O3/c1-4-24-9-11-25(12-10-24)19(26)17-18(28-3)20(27)23(2)16(22-17)13-14-5-7-15(21)8-6-14/h5-8H,4,9-13H2,1-3H3
InChIKeyZXTUBBPFQWLLQA-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.30
Rot. Bonds5

About 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one

6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one (PubChem CID 141295069) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one
PubChem CID141295069
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one
SMILESCCN1CCN(C(=O)c2nc(Cc3ccc(F)cc3)n(C)c(=O)c2OC)CC1
InChIInChI=1S/C20H25FN4O3/c1-4-24-9-11-25(12-10-24)19(26)17-18(28-3)20(27)23(2)16(22-17)13-14-5-7-15(21)8-6-14/h5-8H,4,9-13H2,1-3H3
InChIKeyZXTUBBPFQWLLQA-UHFFFAOYSA-N
XLogP1.30
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677477
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677537
2-(1,4-dimethylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54677551
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682231
N-[(4-fluorophenyl)methyl]-3-hydroxy-10-morpholino-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 54682233
9-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682238
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54688265
2-(4-ethyl-1-methyl-piperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54702710
9-[benzyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54709826
N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyl-oxamide
CID 54709859

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one?
The IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one (CID 141295069) is 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one is CCN1CCN(C(=O)c2nc(Cc3ccc(F)cc3)n(C)c(=O)c2OC)CC1.
What is the InChIKey of 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one?
The InChIKey is ZXTUBBPFQWLLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-4-24-9-11-25(12-10-24)19(26)17-18(28-3)20(27)23(2)16(22-17)13-14-5-7-15(21)8-6-14/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one?
6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one has a molecular weight of 388.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 141295069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).