5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one

C19H19FN6O — CID 155799018

IUPAC5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nccc(N2CCN(c3nc(-c4ccccc4)c(F)c(=O)[nH]3)CC2)n1
InChIInChI=1S/C19H19FN6O/c1-13-21-8-7-15(22-13)25-9-11-26(12-10-25)19-23-17(16(20)18(27)24-19)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,23,24,27)
InChIKeyAYFQAQJWDAMHBA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.00
Rot. Bonds3

About 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one

5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 155799018) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID155799018
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nccc(N2CCN(c3nc(-c4ccccc4)c(F)c(=O)[nH]3)CC2)n1
InChIInChI=1S/C19H19FN6O/c1-13-21-8-7-15(22-13)25-9-11-26(12-10-25)19-23-17(16(20)18(27)24-19)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,23,24,27)
InChIKeyAYFQAQJWDAMHBA-UHFFFAOYSA-N
XLogP2.00
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one (CID 155799018) is 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one is Cc1nccc(N2CCN(c3nc(-c4ccccc4)c(F)c(=O)[nH]3)CC2)n1.
What is the InChIKey of 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is AYFQAQJWDAMHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-13-21-8-7-15(22-13)25-9-11-26(12-10-25)19-23-17(16(20)18(27)24-19)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,23,24,27).
What are the key properties of 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 366.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155799018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).