1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one

C27H54N14O4 — CID 161239351

IUPAC1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one
SMILESCC1C(C)N(C)C(=O)N1C.CN(C)c1nc(N(C)C)nc(N(C)C)n1.CN1C(=O)N(C)C2C1N(C)C(=O)N2C.CNC(=O)NC
InChIInChI=1S/C9H18N6.C8H14N4O2.C7H14N2O.C3H8N2O/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2;1-5-6(2)9(4)7(10)8(5)3;1-4-3(6)5-2/h1-6H3;5-6H,1-4H3;5-6H,1-4H3;1-2H3,(H2,4,5,6)
InChIKeyUZUHCFYURQVNIK-UHFFFAOYSA-N
MW638.82 g/mol
LogP0.01
Rot. Bonds3

About 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one

1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one (PubChem CID 161239351) has the molecular formula C27H54N14O4 and a molecular weight of 638.82 g/mol. Its IUPAC name is 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one
PubChem CID161239351
Molecular FormulaC27H54N14O4
Molecular Weight638.82 g/mol
Exact Mass638.45
IUPAC Name1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one
SMILESCC1C(C)N(C)C(=O)N1C.CN(C)c1nc(N(C)C)nc(N(C)C)n1.CN1C(=O)N(C)C2C1N(C)C(=O)N2C.CNC(=O)NC
InChIInChI=1S/C9H18N6.C8H14N4O2.C7H14N2O.C3H8N2O/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2;1-5-6(2)9(4)7(10)8(5)3;1-4-3(6)5-2/h1-6H3;5-6H,1-4H3;5-6H,1-4H3;1-2H3,(H2,4,5,6)
InChIKeyUZUHCFYURQVNIK-UHFFFAOYSA-N
XLogP0.01
TPSA160.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.82
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one with MolForge

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Related Compounds

azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
1,3-dimethylurea
CID 7293
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 172706081
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 62864781
1-iodo-3,4,5-trimethylimidazolidin-2-one
CID 154991596
3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 646967
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80808876
6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one
CID 910986
(2S,3S)-N,N,2,3-tetramethyl-4-oxoazetidine-1-carboxamide
CID 59958068
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918721
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 62864642
(E)-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-4-hydroxypent-3-en-2-one
CID 7439901

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one?
The IUPAC name of 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one (CID 161239351) is 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one.
What is the SMILES notation for 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one?
The canonical SMILES for 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one is CC1C(C)N(C)C(=O)N1C.CN(C)c1nc(N(C)C)nc(N(C)C)n1.CN1C(=O)N(C)C2C1N(C)C(=O)N2C.CNC(=O)NC.
What is the InChIKey of 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one?
The InChIKey is UZUHCFYURQVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6.C8H14N4O2.C7H14N2O.C3H8N2O/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2;1-5-6(2)9(4)7(10)8(5)3;1-4-3(6)5-2/h1-6H3;5-6H,1-4H3;5-6H,1-4H3;1-2H3,(H2,4,5,6).
What are the key properties of 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one?
1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one has a molecular weight of 638.82 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,5-tetramethylimidazolidin-2-one is sourced from PubChem (CID 161239351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).