5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione

C21H22N4O2 — CID 172942191

IUPAC5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESC/C(=N/N(Cc1ccccc1)Cc1ccccc1)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C21H22N4O2/c1-15-19(20(26)23-21(27)22-15)16(2)24-25(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H2,22,23,26,27)/b24-16-
InChIKeyHZJDMGPEFIQHFB-JLPGSUDCSA-N
MW362.43 g/mol
LogP2.80
Rot. Bonds6

About 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 172942191) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID172942191
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESC/C(=N/N(Cc1ccccc1)Cc1ccccc1)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C21H22N4O2/c1-15-19(20(26)23-21(27)22-15)16(2)24-25(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H2,22,23,26,27)/b24-16-
InChIKeyHZJDMGPEFIQHFB-JLPGSUDCSA-N
XLogP2.80
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137262645
N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
CID 123599091
(2S)-2-amino-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanamide
CID 936687
[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
CID 4920974
N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
CID 89456137
4-acetyl-3-benzyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 154688957
ethyl 4-acetyl-N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrrole-2-carbohydrazonate
CID 137201318
6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione
CID 13499296
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 4270289
1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 747588
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide
CID 47082599

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 172942191) is 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione is C/C(=N/N(Cc1ccccc1)Cc1ccccc1)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is HZJDMGPEFIQHFB-JLPGSUDCSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-19(20(26)23-21(27)22-15)16(2)24-25(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H2,22,23,26,27)/b24-16-.
What are the key properties of 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 172942191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).