4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one

C19H19FN6O — CID 154829329

IUPAC4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCN(c3cnc4ccccc4n3)CC2)nc(C2CC2)c1F
InChIInChI=1S/C19H19FN6O/c20-16-17(12-5-6-12)23-19(24-18(16)27)26-9-7-25(8-10-26)15-11-21-13-3-1-2-4-14(13)22-15/h1-4,11-12H,5-10H2,(H,23,24,27)
InChIKeyOZMJJPHMBTVFRW-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.06
Rot. Bonds3

About 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one

4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 154829329) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID154829329
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCN(c3cnc4ccccc4n3)CC2)nc(C2CC2)c1F
InChIInChI=1S/C19H19FN6O/c20-16-17(12-5-6-12)23-19(24-18(16)27)26-9-7-25(8-10-26)15-11-21-13-3-1-2-4-14(13)22-15/h1-4,11-12H,5-10H2,(H,23,24,27)
InChIKeyOZMJJPHMBTVFRW-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 154829329) is 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one is O=c1[nH]c(N2CCN(c3cnc4ccccc4n3)CC2)nc(C2CC2)c1F.
What is the InChIKey of 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is OZMJJPHMBTVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-16-17(12-5-6-12)23-19(24-18(16)27)26-9-7-25(8-10-26)15-11-21-13-3-1-2-4-14(13)22-15/h1-4,11-12H,5-10H2,(H,23,24,27).
What are the key properties of 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 366.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154829329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).