4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide

C26H30N6O4 — CID 30803932

IUPAC4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
SMILESCCN(C(=O)CN(Cc1ccc(C(N)=O)cc1)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H30N6O4/c1-2-31(22-23(27)32(26(36)29-25(22)35)15-17-6-4-3-5-7-17)21(33)16-30(20-12-13-20)14-18-8-10-19(11-9-18)24(28)34/h3-11,20H,2,12-16,27H2,1H3,(H2,28,34)(H,29,35,36)
InChIKeyNCRPYZIFDAAAIF-UHFFFAOYSA-N
MW490.56 g/mol
LogP1.28
Rot. Bonds10

About 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide

4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide (PubChem CID 30803932) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
PubChem CID30803932
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
SMILESCCN(C(=O)CN(Cc1ccc(C(N)=O)cc1)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H30N6O4/c1-2-31(22-23(27)32(26(36)29-25(22)35)15-17-6-4-3-5-7-17)21(33)16-30(20-12-13-20)14-18-8-10-19(11-9-18)24(28)34/h3-11,20H,2,12-16,27H2,1H3,(H2,28,34)(H,29,35,36)
InChIKeyNCRPYZIFDAAAIF-UHFFFAOYSA-N
XLogP1.28
TPSA147.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide
CID 55412918
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-ethylacetamide
CID 16561830
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55355076
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 34411864
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 43056155
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 8801145
2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 29166370
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 26175947
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605012
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2089001
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911043

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
The IUPAC name of 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide (CID 30803932) is 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
The canonical SMILES for 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide is CCN(C(=O)CN(Cc1ccc(C(N)=O)cc1)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
The InChIKey is NCRPYZIFDAAAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-2-31(22-23(27)32(26(36)29-25(22)35)15-17-6-4-3-5-7-17)21(33)16-30(20-12-13-20)14-18-8-10-19(11-9-18)24(28)34/h3-11,20H,2,12-16,27H2,1H3,(H2,28,34)(H,29,35,36).
What are the key properties of 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide has a molecular weight of 490.56 g/mol, XLogP of 1.28, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide is sourced from PubChem (CID 30803932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).