2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide

C23H26N4O2 — CID 91904089

IUPAC2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C23H26N4O2/c1-4-18-11-8-12-20(14-18)25-21(28)16-27-22(29)13-17(2)24-23(27)26(3)15-19-9-6-5-7-10-19/h5-14H,4,15-16H2,1-3H3,(H,25,28)
InChIKeyLCPDSVWFXNFKQS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.39
Rot. Bonds7

About 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 91904089) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID91904089
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C23H26N4O2/c1-4-18-11-8-12-20(14-18)25-21(28)16-27-22(29)13-17(2)24-23(27)26(3)15-19-9-6-5-7-10-19/h5-14H,4,15-16H2,1-3H3,(H,25,28)
InChIKeyLCPDSVWFXNFKQS-UHFFFAOYSA-N
XLogP3.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L 365260
CID 5311201
1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 9953071
CID 104929
CID 104929
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 2124224
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2952911
(3S)-1-Methyl-3-[3-(3-methylphenyl)ureido]-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one
CID 9887120
1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10364786
1-[3-[[3-[(N'-methyl-N-phenylcarbamimidoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-3-propan-2-ylurea
CID 10625155
3-[4-(4-Benzyl-piperazin-1-yl)-butyl]-6-(3-ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione
CID 10863712
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide
CID 44577642
(1E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(3-methylphenyl)urea
CID 136106112
1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methylphenyl)urea
CID 909097

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide (CID 91904089) is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is LCPDSVWFXNFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-18-11-8-12-20(14-18)25-21(28)16-27-22(29)13-17(2)24-23(27)26(3)15-19-9-6-5-7-10-19/h5-14H,4,15-16H2,1-3H3,(H,25,28).
What are the key properties of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 91904089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).