N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide

C25H27N5O2 — CID 72546361

IUPACN-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C2CC(c3cc4ccccc4o3)=NC(NC(=O)CN3CCNCC3)=N2)cc1
InChIInChI=1S/C25H27N5O2/c1-17-6-8-18(9-7-17)20-15-21(23-14-19-4-2-3-5-22(19)32-23)28-25(27-20)29-24(31)16-30-12-10-26-11-13-30/h2-9,14,20,26H,10-13,15-16H2,1H3,(H,27,29,31)
InChIKeyRIIDZWHNKONVIY-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.05
Rot. Bonds4

About N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide

N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide (PubChem CID 72546361) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide
PubChem CID72546361
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C2CC(c3cc4ccccc4o3)=NC(NC(=O)CN3CCNCC3)=N2)cc1
InChIInChI=1S/C25H27N5O2/c1-17-6-8-18(9-7-17)20-15-21(23-14-19-4-2-3-5-22(19)32-23)28-25(27-20)29-24(31)16-30-12-10-26-11-13-30/h2-9,14,20,26H,10-13,15-16H2,1H3,(H,27,29,31)
InChIKeyRIIDZWHNKONVIY-UHFFFAOYSA-N
XLogP3.05
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide (CID 72546361) is N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide is Cc1ccc(C2CC(c3cc4ccccc4o3)=NC(NC(=O)CN3CCNCC3)=N2)cc1.
What is the InChIKey of N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide?
The InChIKey is RIIDZWHNKONVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-6-8-18(9-7-17)20-15-21(23-14-19-4-2-3-5-22(19)32-23)28-25(27-20)29-24(31)16-30-12-10-26-11-13-30/h2-9,14,20,26H,10-13,15-16H2,1H3,(H,27,29,31).
What are the key properties of N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide?
N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide has a molecular weight of 429.52 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 72546361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).