1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol

C14H25N3O2 — CID 107151147

IUPAC1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCCCOc1nc(NCC(O)CC(C)C)ccc1N
InChIInChI=1S/C14H25N3O2/c1-4-7-19-14-12(15)5-6-13(17-14)16-9-11(18)8-10(2)3/h5-6,10-11,18H,4,7-9,15H2,1-3H3,(H,16,17)
InChIKeyOGWRFBXOMMEXRE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds8

About 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol

1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol (PubChem CID 107151147) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
PubChem CID107151147
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCCCOc1nc(NCC(O)CC(C)C)ccc1N
InChIInChI=1S/C14H25N3O2/c1-4-7-19-14-12(15)5-6-13(17-14)16-9-11(18)8-10(2)3/h5-6,10-11,18H,4,7-9,15H2,1-3H3,(H,16,17)
InChIKeyOGWRFBXOMMEXRE-UHFFFAOYSA-N
XLogP2.27
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol (CID 107151147) is 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol is CCCOc1nc(NCC(O)CC(C)C)ccc1N.
What is the InChIKey of 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol?
The InChIKey is OGWRFBXOMMEXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-19-14-12(15)5-6-13(17-14)16-9-11(18)8-10(2)3/h5-6,10-11,18H,4,7-9,15H2,1-3H3,(H,16,17).
What are the key properties of 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol?
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107151147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).