2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

C9H16N4O3 — CID 107845614

IUPAC2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ccc(NC(CO)(CO)CO)nc1N
InChIInChI=1S/C9H16N4O3/c10-6-1-2-7(12-8(6)11)13-9(3-14,4-15)5-16/h1-2,14-16H,3-5,10H2,(H3,11,12,13)
InChIKeyDPAUTJZZENEZRY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.63
Rot. Bonds5

About 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845614) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845614
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ccc(NC(CO)(CO)CO)nc1N
InChIInChI=1S/C9H16N4O3/c10-6-1-2-7(12-8(6)11)13-9(3-14,4-15)5-16/h1-2,14-16H,3-5,10H2,(H3,11,12,13)
InChIKeyDPAUTJZZENEZRY-UHFFFAOYSA-N
XLogP-1.63
TPSA137.65 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115358122
2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855145
2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845390
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864556
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
2-[(5,6-diamino-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 79825795
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845624
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855657
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol
CID 62524145
3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348219
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107845614) is 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is Nc1ccc(NC(CO)(CO)CO)nc1N.
What is the InChIKey of 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is DPAUTJZZENEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c10-6-1-2-7(12-8(6)11)13-9(3-14,4-15)5-16/h1-2,14-16H,3-5,10H2,(H3,11,12,13).
What are the key properties of 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 228.25 g/mol, XLogP of -1.63, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).