[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone

C17H19FN4O3 — CID 121065286

IUPAC[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCOc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc(OC)n1
InChIInChI=1S/C17H19FN4O3/c1-24-15-11-14(19-17(20-15)25-2)21-7-9-22(10-8-21)16(23)12-5-3-4-6-13(12)18/h3-6,11H,7-10H2,1-2H3
InChIKeyURIPMKJATGJSEY-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.60
Rot. Bonds4

About [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone

[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 121065286) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID121065286
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCOc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc(OC)n1
InChIInChI=1S/C17H19FN4O3/c1-24-15-11-14(19-17(20-15)25-2)21-7-9-22(10-8-21)16(23)12-5-3-4-6-13(12)18/h3-6,11H,7-10H2,1-2H3
InChIKeyURIPMKJATGJSEY-UHFFFAOYSA-N
XLogP1.60
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42154432
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 121065315
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
2-(2-fluorophenyl)-1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122332331
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840875
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 121065286) is [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone is COc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc(OC)n1.
What is the InChIKey of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is URIPMKJATGJSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-24-15-11-14(19-17(20-15)25-2)21-7-9-22(10-8-21)16(23)12-5-3-4-6-13(12)18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 346.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 121065286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).