4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol

C10H17N3O2 — CID 171880918

IUPAC4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ncc(C(O)C(O)CCN)cc1N
InChIInChI=1S/C10H17N3O2/c1-6-8(12)4-7(5-13-6)10(15)9(14)2-3-11/h4-5,9-10,14-15H,2-3,11-12H2,1H3
InChIKeyQFYFPMHYQUAEOQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.28
Rot. Bonds4

About 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol

4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol (PubChem CID 171880918) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
PubChem CID171880918
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ncc(C(O)C(O)CCN)cc1N
InChIInChI=1S/C10H17N3O2/c1-6-8(12)4-7(5-13-6)10(15)9(14)2-3-11/h4-5,9-10,14-15H,2-3,11-12H2,1H3
InChIKeyQFYFPMHYQUAEOQ-UHFFFAOYSA-N
XLogP-0.28
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873753
1-(5-amino-6-methyl-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861696
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
5-(4-amino-1,2-dihydroxybutyl)-3-methylpyridine-2-carbonitrile
CID 171881230
4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
CID 171881061
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
5-(4-amino-1,2-dihydroxybutyl)-2-chloropyridine-3-carboxylic acid
CID 171881681
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
4-amino-1-(4-amino-3-hydroxyphenyl)butane-1,2-diol
CID 171881025
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
CID 171880909
1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171871936
4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
CID 171881066

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol (CID 171880918) is 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol is Cc1ncc(C(O)C(O)CCN)cc1N.
What is the InChIKey of 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol?
The InChIKey is QFYFPMHYQUAEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6-8(12)4-7(5-13-6)10(15)9(14)2-3-11/h4-5,9-10,14-15H,2-3,11-12H2,1H3.
What are the key properties of 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol?
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of -0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171880918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).