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

C23H26N4O2 — CID 91904085

IUPAC2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-16-9-8-10-17(2)22(16)25-20(28)15-27-21(29)13-18(3)24-23(27)26(4)14-19-11-6-5-7-12-19/h5-13H,14-15H2,1-4H3,(H,25,28)
InChIKeyVXDRSLIQDKUMIM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.44
Rot. Bonds6

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

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 91904085) 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-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID91904085
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-16-9-8-10-17(2)22(16)25-20(28)15-27-21(29)13-18(3)24-23(27)26(4)14-19-11-6-5-7-12-19/h5-13H,14-15H2,1-4H3,(H,25,28)
InChIKeyVXDRSLIQDKUMIM-UHFFFAOYSA-N
XLogP3.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 91904074
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 53201796
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56685509
2,6-dimethyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 63769710
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
N-(2-ethyl-6-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370603
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56509640
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51363440
N-(2,6-dimethylphenyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028552
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide
CID 91904059

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 91904085) is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is VXDRSLIQDKUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-9-8-10-17(2)22(16)25-20(28)15-27-21(29)13-18(3)24-23(27)26(4)14-19-11-6-5-7-12-19/h5-13H,14-15H2,1-4H3,(H,25,28).
What are the key properties of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.44, 6 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-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 91904085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).