2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol

C9H15N3O2 — CID 81132463

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol
SMILESCc1ccc(N)c(NC(CO)CO)n1
InChIInChI=1S/C9H15N3O2/c1-6-2-3-8(10)9(11-6)12-7(4-13)5-14/h2-3,7,13-14H,4-5,10H2,1H3,(H,11,12)
InChIKeyVOPXGBSXFHFRLG-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.26
Rot. Bonds4

About 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol

2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol (PubChem CID 81132463) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol
PubChem CID81132463
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol
SMILESCc1ccc(N)c(NC(CO)CO)n1
InChIInChI=1S/C9H15N3O2/c1-6-2-3-8(10)9(11-6)12-7(4-13)5-14/h2-3,7,13-14H,4-5,10H2,1H3,(H,11,12)
InChIKeyVOPXGBSXFHFRLG-UHFFFAOYSA-N
XLogP-0.26
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]amino]propane-1,3-diol
CID 65313218
6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
CID 81132188
6-methyl-2-N-pentan-2-ylpyridine-2,3-diamine
CID 81132763
2-[(3-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82057666
2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845390
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106343886
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
CID 81131400
6-methyl-2-N-[1-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 81132205
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile
CID 106186270

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol (CID 81132463) is 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol is Cc1ccc(N)c(NC(CO)CO)n1.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol?
The InChIKey is VOPXGBSXFHFRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-2-3-8(10)9(11-6)12-7(4-13)5-14/h2-3,7,13-14H,4-5,10H2,1H3,(H,11,12).
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol?
2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol has a molecular weight of 197.24 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol is sourced from PubChem (CID 81132463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).