2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide

C24H26FN5O2 — CID 59509039

IUPAC2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C24H26FN5O2/c1-32-22-8-7-19(25)13-20(22)21-14-23(27-17-26-21)28-24(31)16-30-11-9-29(10-12-30)15-18-5-3-2-4-6-18/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,27,28,31)
InChIKeyMHUFVUHGTARTQI-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 59509039) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID59509039
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C24H26FN5O2/c1-32-22-8-7-19(25)13-20(22)21-14-23(27-17-26-21)28-24(31)16-30-11-9-29(10-12-30)15-18-5-3-2-4-6-18/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,27,28,31)
InChIKeyMHUFVUHGTARTQI-UHFFFAOYSA-N
XLogP3.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide (CID 59509039) is 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide is COc1ccc(F)cc1-c1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is MHUFVUHGTARTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-22-8-7-19(25)13-20(22)21-14-23(27-17-26-21)28-24(31)16-30-11-9-29(10-12-30)15-18-5-3-2-4-6-18/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,27,28,31).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59509039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).