[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol

C6H12N6O — CID 18793710

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol
SMILESCCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6O/c1-2-12(3-13)6-10-4(7)9-5(8)11-6/h13H,2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyRIGDBGRUGOMDML-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.19
Rot. Bonds3

About [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol

[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol (PubChem CID 18793710) has the molecular formula C6H12N6O and a molecular weight of 184.20 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol
PubChem CID18793710
Molecular FormulaC6H12N6O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol
SMILESCCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6O/c1-2-12(3-13)6-10-4(7)9-5(8)11-6/h13H,2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyRIGDBGRUGOMDML-UHFFFAOYSA-N
XLogP-1.19
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(4,6-diamino-1,3,5-triazin-2-yl)-(hydroxymethyl)amino]methanol;hydrate
CID 139928356
[(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol
CID 141133676
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
6-chloro-2-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774645
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809834
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80780070
2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine
CID 146321122
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80808876
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805910

Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol (CID 18793710) is [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol is CCN(CO)c1nc(N)nc(N)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol?
The InChIKey is RIGDBGRUGOMDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O/c1-2-12(3-13)6-10-4(7)9-5(8)11-6/h13H,2-3H2,1H3,(H4,7,8,9,10,11).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol?
[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol has a molecular weight of 184.20 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol is sourced from PubChem (CID 18793710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).