N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

C22H23N3O2 — CID 121064379

IUPACN,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cn1
InChIInChI=1S/C22H23N3O2/c1-2-20-13-21(26)25(17-23-20)16-22(27)24(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-13,17H,2,14-16H2,1H3
InChIKeyQSGRRHNEDMYXHB-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.03
Rot. Bonds7

About N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064379) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID121064379
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cn1
InChIInChI=1S/C22H23N3O2/c1-2-20-13-21(26)25(17-23-20)16-22(27)24(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-13,17H,2,14-16H2,1H3
InChIKeyQSGRRHNEDMYXHB-UHFFFAOYSA-N
XLogP3.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide
CID 53201643
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064280
N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 30936012
2-(5-amino-2-oxo-1-pyridinyl)-N-benzyl-N-ethylacetamide
CID 62816164
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 112788534
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 53024007
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 121064318
N-benzyl-N-ethyl-2-(6-hydroxy-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 177088797
N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
CID 95917583
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (CID 121064379) is N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is CCc1cc(=O)n(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cn1.
What is the InChIKey of N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QSGRRHNEDMYXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-20-13-21(26)25(17-23-20)16-22(27)24(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-13,17H,2,14-16H2,1H3.
What are the key properties of N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).