1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol

C11H19N3O — CID 66278899

IUPAC1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ncc(C)cc1N
InChIInChI=1S/C11H19N3O/c1-4-11(3,15)7-14-10-9(12)5-8(2)6-13-10/h5-6,15H,4,7,12H2,1-3H3,(H,13,14)
InChIKeyWHALNSPRIPSMFA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.55
Rot. Bonds4

About 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol

1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol (PubChem CID 66278899) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol
PubChem CID66278899
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ncc(C)cc1N
InChIInChI=1S/C11H19N3O/c1-4-11(3,15)7-14-10-9(12)5-8(2)6-13-10/h5-6,15H,4,7,12H2,1-3H3,(H,13,14)
InChIKeyWHALNSPRIPSMFA-UHFFFAOYSA-N
XLogP1.55
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol (CID 66278899) is 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1ncc(C)cc1N.
What is the InChIKey of 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol?
The InChIKey is WHALNSPRIPSMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(3,15)7-14-10-9(12)5-8(2)6-13-10/h5-6,15H,4,7,12H2,1-3H3,(H,13,14).
What are the key properties of 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol?
1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 66278899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).