2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol

C9H18N6O — CID 60693391

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O/c1-6(2)15(3-4-16)5-7-12-8(10)14-9(11)13-7/h6,16H,3-5H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyMPQQMCJHUKLNQL-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.76
Rot. Bonds5

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 60693391) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
PubChem CID60693391
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O/c1-6(2)15(3-4-16)5-7-12-8(10)14-9(11)13-7/h6,16H,3-5H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyMPQQMCJHUKLNQL-UHFFFAOYSA-N
XLogP-0.76
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol (CID 60693391) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is MPQQMCJHUKLNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-6(2)15(3-4-16)5-7-12-8(10)14-9(11)13-7/h6,16H,3-5H2,1-2H3,(H4,10,11,12,13,14).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 226.28 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60693391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).