5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one

C20H19N3O2 — CID 747912

IUPAC5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one
SMILESCC(=O)c1c(NCc2ccccc2)nc(=O)n(-c2ccccc2)c1C
InChIInChI=1S/C20H19N3O2/c1-14-18(15(2)24)19(21-13-16-9-5-3-6-10-16)22-20(25)23(14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,21,22,25)
InChIKeyDEIVIPIPMMRDPG-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.36
Rot. Bonds5

About 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one

5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one (PubChem CID 747912) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one
PubChem CID747912
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one
SMILESCC(=O)c1c(NCc2ccccc2)nc(=O)n(-c2ccccc2)c1C
InChIInChI=1S/C20H19N3O2/c1-14-18(15(2)24)19(21-13-16-9-5-3-6-10-16)22-20(25)23(14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,21,22,25)
InChIKeyDEIVIPIPMMRDPG-UHFFFAOYSA-N
XLogP3.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{6-Methyl-1-phenyl-4-[(2-phenylethyl)amino]-2-thioxo-1,2-dihydropyrimidin-5-yl}ethanone
CID 1358228
10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 929592
1-(5-Acetyl-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-yl)piperidine-4-carboxamide
CID 1520411
3-Butyl-10-o-tolyl-10H-pyrimido[4,5-b]quinoline-2,4-dione
CID 1869633
1-[4-(4-Benzylpiperazin-1-yl)-6-methyl-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl]ethanone
CID 5184323
6-imino-N-(3-methylphenyl)-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 16194627
7-benzyl-6-imino-2-oxo-N-phenyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145964660
6-imino-2-oxo-7-phenyl-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145975347
Mls002694009
CID 135454055
Ethanone, 1-(4-butylamino-6-methyl-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl)-
CID 1826779
10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 267570
4-Imino-3,6-diphenyl-1,3,4,7-tetrahydropyrimido[5,4-d]pyrimidine-2,8-dione
CID 135418267

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one (CID 747912) is 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one is CC(=O)c1c(NCc2ccccc2)nc(=O)n(-c2ccccc2)c1C.
What is the InChIKey of 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one?
The InChIKey is DEIVIPIPMMRDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-18(15(2)24)19(21-13-16-9-5-3-6-10-16)22-20(25)23(14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,21,22,25).
What are the key properties of 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one?
5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one is sourced from PubChem (CID 747912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).