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

C4H8N6O — CID 175951264

IUPACdeuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
SMILES[2H]C(O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h11H,1H2,(H5,5,6,7,8,9,10)/i1D
InChIKeyMBHRHUJRKGNOKX-MICDWDOJSA-N
MW157.16 g/mol
LogP-1.60
Rot. Bonds2

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

deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol (PubChem CID 175951264) has the molecular formula C4H8N6O and a molecular weight of 157.16 g/mol. Its IUPAC name is deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol.

Molecular Properties

Compound Namedeuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
PubChem CID175951264
Molecular FormulaC4H8N6O
Molecular Weight157.16 g/mol
Exact Mass157.08
IUPAC Namedeuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
SMILES[2H]C(O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h11H,1H2,(H5,5,6,7,8,9,10)/i1D
InChIKeyMBHRHUJRKGNOKX-MICDWDOJSA-N
XLogP-1.60
TPSA122.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
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)amino]methanol;hydrochloride
CID 158256516
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;1,2,3,4,5,6-hexachlorocyclohexane
CID 88519304
1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one
CID 130130941
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460807
[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol
CID 58571407
1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 90384799
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 90392503
3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoyl chloride
CID 130015511
4-[[4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butylamino]-6-(4-fluorobutylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 145427155
2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 142726691

Frequently Asked Questions

What is the IUPAC name of deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
The IUPAC name of deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol (CID 175951264) is deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol.
What is the SMILES notation for deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
The canonical SMILES for deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol is [2H]C(O)Nc1nc(N)nc(N)n1.
What is the InChIKey of deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
The InChIKey is MBHRHUJRKGNOKX-MICDWDOJSA-N. The full InChI is InChI=1S/C4H8N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h11H,1H2,(H5,5,6,7,8,9,10)/i1D.
What are the key properties of deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol?
deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol has a molecular weight of 157.16 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol is sourced from PubChem (CID 175951264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).