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

C6H12N6O2 — CID 90392503

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
SMILESNc1nc(N)nc(NC(CO)CO)n1
InChIInChI=1S/C6H12N6O2/c7-4-10-5(8)12-6(11-4)9-3(1-13)2-14/h3,13-14H,1-2H2,(H5,7,8,9,10,11,12)
InChIKeyTYDUJDUZCHMPCA-UHFFFAOYSA-N
MW200.20 g/mol
LogP-2.20
Rot. Bonds4

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol (PubChem CID 90392503) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
PubChem CID90392503
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
SMILESNc1nc(N)nc(NC(CO)CO)n1
InChIInChI=1S/C6H12N6O2/c7-4-10-5(8)12-6(11-4)9-3(1-13)2-14/h3,13-14H,1-2H2,(H5,7,8,9,10,11,12)
InChIKeyTYDUJDUZCHMPCA-UHFFFAOYSA-N
XLogP-2.20
TPSA143.20 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol (CID 90392503) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol is Nc1nc(N)nc(NC(CO)CO)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The InChIKey is TYDUJDUZCHMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O2/c7-4-10-5(8)12-6(11-4)9-3(1-13)2-14/h3,13-14H,1-2H2,(H5,7,8,9,10,11,12).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol has a molecular weight of 200.20 g/mol, XLogP of -2.20, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 90392503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).