6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one

C7H13N5O2 — CID 910986

IUPAC6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one
SMILESCN(C)c1nc(N)n(CCO)c(=O)n1
InChIInChI=1S/C7H13N5O2/c1-11(2)6-9-5(8)12(3-4-13)7(14)10-6/h13H,3-4H2,1-2H3,(H2,8,9,10,14)
InChIKeyITZSBPAAZHIHGS-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.72
Rot. Bonds3

About 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one

6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one (PubChem CID 910986) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one
PubChem CID910986
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one
SMILESCN(C)c1nc(N)n(CCO)c(=O)n1
InChIInChI=1S/C7H13N5O2/c1-11(2)6-9-5(8)12(3-4-13)7(14)10-6/h13H,3-4H2,1-2H3,(H2,8,9,10,14)
InChIKeyITZSBPAAZHIHGS-UHFFFAOYSA-N
XLogP-1.72
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 787610
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325
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
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
ethyl 4-[2-[[1-(2-hydroxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 41245757
2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol
CID 107226852
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylacetamide
CID 79297215
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
CID 66114761
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
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyclopropylamino]ethanol
CID 80811019
6-amino-1-(2-hydroxyethyl)-3-methyl-2-sulfanylidenepyrimidin-4-one
CID 130017604

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one?
The IUPAC name of 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one (CID 910986) is 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one?
The canonical SMILES for 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one is CN(C)c1nc(N)n(CCO)c(=O)n1.
What is the InChIKey of 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one?
The InChIKey is ITZSBPAAZHIHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-11(2)6-9-5(8)12(3-4-13)7(14)10-6/h13H,3-4H2,1-2H3,(H2,8,9,10,14).
What are the key properties of 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one?
6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one has a molecular weight of 199.21 g/mol, XLogP of -1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 910986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).