1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one

C16H20N8O — CID 823170

IUPAC1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
SMILES[H]/N=C1/N(c2nc(N(C)C)nc(N(C)C)n2)CC(=O)N1c1ccccc1
InChIInChI=1S/C16H20N8O/c1-21(2)14-18-15(22(3)4)20-16(19-14)23-10-12(25)24(13(23)17)11-8-6-5-7-9-11/h5-9,17H,10H2,1-4H3/b17-13-
InChIKeyGNZMXKCHEUKJSZ-LGMDPLHJSA-N
MW340.39 g/mol
LogP0.79
Rot. Bonds4

About 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one

1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one (PubChem CID 823170) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one.

Molecular Properties

Compound Name1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
PubChem CID823170
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
SMILES[H]/N=C1/N(c2nc(N(C)C)nc(N(C)C)n2)CC(=O)N1c1ccccc1
InChIInChI=1S/C16H20N8O/c1-21(2)14-18-15(22(3)4)20-16(19-14)23-10-12(25)24(13(23)17)11-8-6-5-7-9-11/h5-9,17H,10H2,1-4H3/b17-13-
InChIKeyGNZMXKCHEUKJSZ-LGMDPLHJSA-N
XLogP0.79
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
CID 976663
4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
CID 1088144
1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N-phenyl-N-propan-2-ylacetamide
CID 1900779
4-(1-Phenyltetrazol-5-yl)piperazin-2-one
CID 2540535
N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 2969869
N-[2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 24747276
2-[4-Anilino-6-[2-imino-5-(2-methylpropyl)-4-oxoimidazolidin-1-yl]-1,3,5-triazin-2-yl]guanidine
CID 137655577
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 17451239
1-[4-(Diethylamino)-6-(morpholin-4-YL)-1,3,5-triazin-2-YL]-2-imino-3-phenylimidazolidin-4-one
CID 23607032
1-[4-Anilino-6-[2-imino-5-(2-methylpropyl)-4-oxoimidazolidin-1-yl]-1,3,5-triazin-2-yl]-1,2,3,3-tetramethylguanidine
CID 137638504
N-(4-{[(2Z)-6-{[4-(acetylamino)phenyl]amino}-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2(1H)-ylidene]amino}phenyl)acetamide
CID 1383394

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
The IUPAC name of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one (CID 823170) is 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one.
What is the SMILES notation for 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
The canonical SMILES for 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one is [H]/N=C1/N(c2nc(N(C)C)nc(N(C)C)n2)CC(=O)N1c1ccccc1.
What is the InChIKey of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
The InChIKey is GNZMXKCHEUKJSZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H20N8O/c1-21(2)14-18-15(22(3)4)20-16(19-14)23-10-12(25)24(13(23)17)11-8-6-5-7-9-11/h5-9,17H,10H2,1-4H3/b17-13-.
What are the key properties of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one has a molecular weight of 340.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one is sourced from PubChem (CID 823170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).