3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

C12H19N3O — CID 114628760

IUPAC3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1ccc(N)c(NC2CC(O)C2(C)C)n1
InChIInChI=1S/C12H19N3O/c1-7-4-5-8(13)11(14-7)15-9-6-10(16)12(9,2)3/h4-5,9-10,16H,6,13H2,1-3H3,(H,14,15)
InChIKeyYPMKRWHVVZZDTF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.54
Rot. Bonds2

About 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114628760) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114628760
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1ccc(N)c(NC2CC(O)C2(C)C)n1
InChIInChI=1S/C12H19N3O/c1-7-4-5-8(13)11(14-7)15-9-6-10(16)12(9,2)3/h4-5,9-10,16H,6,13H2,1-3H3,(H,14,15)
InChIKeyYPMKRWHVVZZDTF-UHFFFAOYSA-N
XLogP1.54
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114628760) is 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol is Cc1ccc(N)c(NC2CC(O)C2(C)C)n1.
What is the InChIKey of 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is YPMKRWHVVZZDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7-4-5-8(13)11(14-7)15-9-6-10(16)12(9,2)3/h4-5,9-10,16H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114628760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).