2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide

C21H21FN6O2 — CID 122300013

IUPAC2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C21H21FN6O2/c22-16-4-6-18(7-5-16)30-15-20(29)26-17-13-24-21(25-14-17)28-11-9-27(10-12-28)19-3-1-2-8-23-19/h1-8,13-14H,9-12,15H2,(H,26,29)
InChIKeyNOYUDVWAEZTLLJ-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.35
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide

2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122300013) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122300013
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C21H21FN6O2/c22-16-4-6-18(7-5-16)30-15-20(29)26-17-13-24-21(25-14-17)28-11-9-27(10-12-28)19-3-1-2-8-23-19/h1-8,13-14H,9-12,15H2,(H,26,29)
InChIKeyNOYUDVWAEZTLLJ-UHFFFAOYSA-N
XLogP2.35
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 122300115
1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300084
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298205
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 91967980

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide (CID 122300013) is 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide is O=C(COc1ccc(F)cc1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is NOYUDVWAEZTLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c22-16-4-6-18(7-5-16)30-15-20(29)26-17-13-24-21(25-14-17)28-11-9-27(10-12-28)19-3-1-2-8-23-19/h1-8,13-14H,9-12,15H2,(H,26,29).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 408.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122300013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).