2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one

C12H20N8O — CID 910743

IUPAC2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one
SMILESCC(C)Nc1nc(NC(C)C)nc(N2CC(=O)N=C2N)n1
InChIInChI=1S/C12H20N8O/c1-6(2)14-10-17-11(15-7(3)4)19-12(18-10)20-5-8(21)16-9(20)13/h6-7H,5H2,1-4H3,(H2,13,16,21)(H2,14,15,17,18,19)
InChIKeyTVSVNGXLTHRQML-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.17
Rot. Bonds5

About 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one

2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one (PubChem CID 910743) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one
PubChem CID910743
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one
SMILESCC(C)Nc1nc(NC(C)C)nc(N2CC(=O)N=C2N)n1
InChIInChI=1S/C12H20N8O/c1-6(2)14-10-17-11(15-7(3)4)19-12(18-10)20-5-8(21)16-9(20)13/h6-7H,5H2,1-4H3,(H2,13,16,21)(H2,14,15,17,18,19)
InChIKeyTVSVNGXLTHRQML-UHFFFAOYSA-N
XLogP0.17
TPSA121.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one with MolForge

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Related Compounds

Cyanazine amide
CID 115299
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylpropanamide
CID 2909387
2-{cyano[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]amino}-N,N-diethylpropanamide
CID 4518737
4,6-Bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 658316
2-(N-(4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 657493
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylacetamide
CID 658241
2-[[4-(2-Acetamidoethylamino)-6-[bis(3-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]acetamide
CID 168282824
N~2~-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N~1~-methylglycinamide
CID 972830
(2S)-2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide
CID 909697
2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 3094811
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802981

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one?
The IUPAC name of 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one (CID 910743) is 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one.
What is the SMILES notation for 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one?
The canonical SMILES for 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one is CC(C)Nc1nc(NC(C)C)nc(N2CC(=O)N=C2N)n1.
What is the InChIKey of 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one?
The InChIKey is TVSVNGXLTHRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-6(2)14-10-17-11(15-7(3)4)19-12(18-10)20-5-8(21)16-9(20)13/h6-7H,5H2,1-4H3,(H2,13,16,21)(H2,14,15,17,18,19).
What are the key properties of 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one?
2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one has a molecular weight of 292.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4H-imidazol-5-one is sourced from PubChem (CID 910743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).