3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol

C10H18N4O — CID 115358122

IUPAC3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc(N)c(N)n1
InChIInChI=1S/C10H18N4O/c1-10(2,6-15)5-13-8-4-3-7(11)9(12)14-8/h3-4,15H,5-6,11H2,1-2H3,(H3,12,13,14)
InChIKeyFKZVGGYDQXHYFA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.68
Rot. Bonds4

About 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol

3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115358122) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115358122
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc(N)c(N)n1
InChIInChI=1S/C10H18N4O/c1-10(2,6-15)5-13-8-4-3-7(11)9(12)14-8/h3-4,15H,5-6,11H2,1-2H3,(H3,12,13,14)
InChIKeyFKZVGGYDQXHYFA-UHFFFAOYSA-N
XLogP0.68
TPSA97.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol (CID 115358122) is 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1ccc(N)c(N)n1.
What is the InChIKey of 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is FKZVGGYDQXHYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,6-15)5-13-8-4-3-7(11)9(12)14-8/h3-4,15H,5-6,11H2,1-2H3,(H3,12,13,14).
What are the key properties of 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol?
3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diamino-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115358122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).