2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide

C23H27N5O5 — CID 16597002

IUPAC2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H27N5O5/c1-4-27(14-19(29)25-17-11-10-16(32-2)12-18(17)33-3)20-21(24)28(23(31)26-22(20)30)13-15-8-6-5-7-9-15/h5-12H,4,13-14,24H2,1-3H3,(H,25,29)(H,26,30,31)
InChIKeyQEKRCTQZJXLJJY-UHFFFAOYSA-N
MW453.50 g/mol
LogP1.65
Rot. Bonds9

About 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide

2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 16597002) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID16597002
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H27N5O5/c1-4-27(14-19(29)25-17-11-10-16(32-2)12-18(17)33-3)20-21(24)28(23(31)26-22(20)30)13-15-8-6-5-7-9-15/h5-12H,4,13-14,24H2,1-3H3,(H,25,29)(H,26,30,31)
InChIKeyQEKRCTQZJXLJJY-UHFFFAOYSA-N
XLogP1.65
TPSA131.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide with MolForge

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide
CID 16597172
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-bromophenyl)acetamide
CID 41332177
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 16596955
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 30870975
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30282782
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 55517470
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
CID 8801143
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 8801145
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide
CID 4848331
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(4-phenylphenyl)acetamide
CID 55534656
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55477513
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 8801097

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide (CID 16597002) is 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is QEKRCTQZJXLJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-4-27(14-19(29)25-17-11-10-16(32-2)12-18(17)33-3)20-21(24)28(23(31)26-22(20)30)13-15-8-6-5-7-9-15/h5-12H,4,13-14,24H2,1-3H3,(H,25,29)(H,26,30,31).
What are the key properties of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 453.50 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16597002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).