[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol

C5H10N6O2 — CID 159467216

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol
SMILESCN(c1nc(N)nc(N)n1)C(O)O
InChIInChI=1S/C5H10N6O2/c1-11(5(12)13)4-9-2(6)8-3(7)10-4/h5,12-13H,1H3,(H4,6,7,8,9,10)
InChIKeyLVIMYEUZGOAWRG-UHFFFAOYSA-N
MW186.18 g/mol
LogP-2.26
Rot. Bonds2

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

[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol (PubChem CID 159467216) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol
PubChem CID159467216
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol
SMILESCN(c1nc(N)nc(N)n1)C(O)O
InChIInChI=1S/C5H10N6O2/c1-11(5(12)13)4-9-2(6)8-3(7)10-4/h5,12-13H,1H3,(H4,6,7,8,9,10)
InChIKeyLVIMYEUZGOAWRG-UHFFFAOYSA-N
XLogP-2.26
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 144607170
6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80764732
N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 54375896
2-N,4-N,4-N-trimethyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80810743
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140510686
2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine
CID 156633046
1,3,5-triazine-2,4,6-triamine;trimethoxymethane
CID 135335672
[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol
CID 18793710
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073

Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol (CID 159467216) is [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol is CN(c1nc(N)nc(N)n1)C(O)O.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol?
The InChIKey is LVIMYEUZGOAWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O2/c1-11(5(12)13)4-9-2(6)8-3(7)10-4/h5,12-13H,1H3,(H4,6,7,8,9,10).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol?
[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol has a molecular weight of 186.18 g/mol, XLogP of -2.26, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]methanediol is sourced from PubChem (CID 159467216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).