2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide

C17H22N4O2 — CID 53201643

IUPAC2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide
SMILESCCc1cc(=O)n(CC(=O)N(CC)Cc2ccccc2)c(N)n1
InChIInChI=1S/C17H22N4O2/c1-3-14-10-15(22)21(17(18)19-14)12-16(23)20(4-2)11-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H2,18,19)
InChIKeyCNOGBNWLMPCSJW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.44
Rot. Bonds6

About 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide

2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide (PubChem CID 53201643) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide
PubChem CID53201643
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide
SMILESCCc1cc(=O)n(CC(=O)N(CC)Cc2ccccc2)c(N)n1
InChIInChI=1S/C17H22N4O2/c1-3-14-10-15(22)21(17(18)19-14)12-16(23)20(4-2)11-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H2,18,19)
InChIKeyCNOGBNWLMPCSJW-UHFFFAOYSA-N
XLogP1.44
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064379
2-(5-amino-2-oxo-1-pyridinyl)-N-benzyl-N-ethylacetamide
CID 62816164
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 112788534
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112817041
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652439
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 20883428

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide (CID 53201643) is 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide is CCc1cc(=O)n(CC(=O)N(CC)Cc2ccccc2)c(N)n1.
What is the InChIKey of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide?
The InChIKey is CNOGBNWLMPCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-14-10-15(22)21(17(18)19-14)12-16(23)20(4-2)11-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H2,18,19).
What are the key properties of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide?
2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 53201643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).