1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea

C20H20FN7O — CID 121112892

IUPAC1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C20H20FN7O/c21-15-4-6-16(7-5-15)25-20(29)26-17-13-23-19(24-14-17)28-11-9-27(10-12-28)18-3-1-2-8-22-18/h1-8,13-14H,9-12H2,(H2,25,26,29)
InChIKeyLUYGXDDZRNWKBV-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea

1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea (PubChem CID 121112892) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
PubChem CID121112892
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C20H20FN7O/c21-15-4-6-16(7-5-15)25-20(29)26-17-13-23-19(24-14-17)28-11-9-27(10-12-28)18-3-1-2-8-22-18/h1-8,13-14H,9-12H2,(H2,25,26,29)
InChIKeyLUYGXDDZRNWKBV-UHFFFAOYSA-N
XLogP2.98
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300084
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
1-(1,3-benzodioxol-5-yl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112894
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 122300115
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790148
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea (CID 121112892) is 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea is O=C(Nc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea?
The InChIKey is LUYGXDDZRNWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c21-15-4-6-16(7-5-15)25-20(29)26-17-13-23-19(24-14-17)28-11-9-27(10-12-28)18-3-1-2-8-22-18/h1-8,13-14H,9-12H2,(H2,25,26,29).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea?
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea has a molecular weight of 393.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea is sourced from PubChem (CID 121112892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).