5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C23H25N3O3 — CID 3796868

IUPAC5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\CCC(c1ccccc1)c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C23H25N3O3/c1-16(20-21(27)25(2)23(29)26(3)22(20)28)24-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,27H,14-15H2,1-3H3/b24-16+
InChIKeyCNFLGIXZHLOKAS-LFVJCYFKSA-N
MW391.47 g/mol
LogP2.82
Rot. Bonds6

About 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 3796868) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID3796868
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\CCC(c1ccccc1)c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C23H25N3O3/c1-16(20-21(27)25(2)23(29)26(3)22(20)28)24-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,27H,14-15H2,1-3H3/b24-16+
InChIKeyCNFLGIXZHLOKAS-LFVJCYFKSA-N
XLogP2.82
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-phenylethylidene]amino]acetic acid
CID 135409494
4-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
CID 135727532
4-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 135717825
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135956356
5-[N-[5-(diethylamino)pentan-2-yl]-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 657683
5-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 1402593
6-hydroxy-5-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135570253
6-hydroxy-1,3-dimethyl-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 136897085
6-hydroxy-1,3-dimethyl-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
CID 135777862
2-phenoxyethyl 4-hydroxy-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboximidothioate
CID 4038194
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxy-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboximidothioate
CID 3280532
benzyl N-(4-chlorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 5000028

Frequently Asked Questions

What is the IUPAC name of 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 3796868) is 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is C/C(=N\CCC(c1ccccc1)c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CNFLGIXZHLOKAS-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(20-21(27)25(2)23(29)26(3)22(20)28)24-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,27H,14-15H2,1-3H3/b24-16+.
What are the key properties of 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(3,3-diphenylpropyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3796868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).