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

C9H15N3O3 — CID 107845881

IUPAC2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ncccc1NC(CO)(CO)CO
InChIInChI=1S/C9H15N3O3/c10-8-7(2-1-3-11-8)12-9(4-13,5-14)6-15/h1-3,12-15H,4-6H2,(H2,10,11)
InChIKeyUOROTJVZFBGSIA-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.21
Rot. Bonds5

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

2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845881) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845881
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ncccc1NC(CO)(CO)CO
InChIInChI=1S/C9H15N3O3/c10-8-7(2-1-3-11-8)12-9(4-13,5-14)6-15/h1-3,12-15H,4-6H2,(H2,10,11)
InChIKeyUOROTJVZFBGSIA-UHFFFAOYSA-N
XLogP-1.21
TPSA111.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845509
2-[(2-amino-3-pyridinyl)amino]-2-methylpropanamide
CID 104540232
3-[(2-amino-3-pyridinyl)amino]butan-1-ol
CID 104540669
3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
3-hydrazinylpyridin-2-amine;molecular hydrogen
CID 143942730
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 104539778
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
CID 104540629
3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107845881) is 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is Nc1ncccc1NC(CO)(CO)CO.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is UOROTJVZFBGSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-8-7(2-1-3-11-8)12-9(4-13,5-14)6-15/h1-3,12-15H,4-6H2,(H2,10,11).
What are the key properties of 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 213.24 g/mol, XLogP of -1.21, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).