1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol

C9H15N3O — CID 65103257

IUPAC1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(N)ccn1
InChIInChI=1S/C9H15N3O/c1-9(2,13)6-12-8-5-7(10)3-4-11-8/h3-5,13H,6H2,1-2H3,(H3,10,11,12)
InChIKeyGZIQHUCQRGBGBE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds3

About 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol

1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol (PubChem CID 65103257) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol
PubChem CID65103257
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(N)ccn1
InChIInChI=1S/C9H15N3O/c1-9(2,13)6-12-8-5-7(10)3-4-11-8/h3-5,13H,6H2,1-2H3,(H3,10,11,12)
InChIKeyGZIQHUCQRGBGBE-UHFFFAOYSA-N
XLogP0.85
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol (CID 65103257) is 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1cc(N)ccn1.
What is the InChIKey of 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol?
The InChIKey is GZIQHUCQRGBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,13)6-12-8-5-7(10)3-4-11-8/h3-5,13H,6H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol?
1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-pyridinyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 65103257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).