[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

C17H19FN4O2 — CID 136564992

IUPAC[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccccc3F)CC2C)ncn1
InChIInChI=1S/C17H19FN4O2/c1-12-10-21(15-6-4-3-5-13(15)18)7-8-22(12)17(23)14-9-16(24-2)20-11-19-14/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyNWWQNJWYIXHEIZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.98
Rot. Bonds3

About [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 136564992) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
PubChem CID136564992
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccccc3F)CC2C)ncn1
InChIInChI=1S/C17H19FN4O2/c1-12-10-21(15-6-4-3-5-13(15)18)7-8-22(12)17(23)14-9-16(24-2)20-11-19-14/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyNWWQNJWYIXHEIZ-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991
[(2S)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 93296936
1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296512
(2,4-dichlorophenyl)-[4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
CID 83281287
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
[4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(2-methoxyphenyl)methanone
CID 42872695
[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 83286952
[4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(2-chlorophenyl)methanone
CID 83281306
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone
CID 126806453
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (CID 136564992) is [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)N2CCN(c3ccccc3F)CC2C)ncn1.
What is the InChIKey of [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is NWWQNJWYIXHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-10-21(15-6-4-3-5-13(15)18)7-8-22(12)17(23)14-9-16(24-2)20-11-19-14/h3-6,9,11-12H,7-8,10H2,1-2H3.
What are the key properties of [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 330.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 136564992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).