N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C26H32N6O4 — CID 2998682

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N6O4/c1-3-31(23-24(27)32(26(35)28-25(23)34)17-19-7-5-4-6-8-19)22(33)18-29-13-15-30(16-14-29)20-9-11-21(36-2)12-10-20/h4-12H,3,13-18,27H2,1-2H3,(H,28,34,35)
InChIKeyUATQUTDNPALUPY-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.35
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2998682) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID2998682
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N6O4/c1-3-31(23-24(27)32(26(35)28-25(23)34)17-19-7-5-4-6-8-19)22(33)18-29-13-15-30(16-14-29)20-9-11-21(36-2)12-10-20/h4-12H,3,13-18,27H2,1-2H3,(H,28,34,35)
InChIKeyUATQUTDNPALUPY-UHFFFAOYSA-N
XLogP1.35
TPSA116.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 2998682) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is UATQUTDNPALUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-3-31(23-24(27)32(26(35)28-25(23)34)17-19-7-5-4-6-8-19)22(33)18-29-13-15-30(16-14-29)20-9-11-21(36-2)12-10-20/h4-12H,3,13-18,27H2,1-2H3,(H,28,34,35).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 492.58 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2998682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).