5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine

C19H25FN6 — CID 1085354

IUPAC5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1
InChIInChI=1S/C19H25FN6/c1-23-7-9-25(10-8-23)18-17(20)15-21-19(22-18)26-13-11-24(12-14-26)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyFMELALYLOZMLJI-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.69
Rot. Bonds3

About 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine

5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 1085354) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID1085354
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1
InChIInChI=1S/C19H25FN6/c1-23-7-9-25(10-8-23)18-17(20)15-21-19(22-18)26-13-11-24(12-14-26)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyFMELALYLOZMLJI-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine (CID 1085354) is 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine is CN1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1.
What is the InChIKey of 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is FMELALYLOZMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6/c1-23-7-9-25(10-8-23)18-17(20)15-21-19(22-18)26-13-11-24(12-14-26)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3.
What are the key properties of 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine?
5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 356.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 1085354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).