4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol

C10H17N3O2 — CID 106243050

IUPAC4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ncccc1N
InChIInChI=1S/C10H17N3O2/c1-15-7-8(14)4-6-13-10-9(11)3-2-5-12-10/h2-3,5,8,14H,4,6-7,11H2,1H3,(H,12,13)
InChIKeyNCMLIMGEMSKPJH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.47
Rot. Bonds6

About 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol

4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol (PubChem CID 106243050) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
PubChem CID106243050
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ncccc1N
InChIInChI=1S/C10H17N3O2/c1-15-7-8(14)4-6-13-10-9(11)3-2-5-12-10/h2-3,5,8,14H,4,6-7,11H2,1H3,(H,12,13)
InChIKeyNCMLIMGEMSKPJH-UHFFFAOYSA-N
XLogP0.47
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-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

Related Compounds

(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methylpyridine-3-carboxylic acid
CID 114163853
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248797
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
1-methoxy-4-[(3-methylquinoxalin-2-yl)amino]butan-2-ol
CID 103875708
4-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249039
4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249050
1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 103875647
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol (CID 106243050) is 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1ncccc1N.
What is the InChIKey of 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol?
The InChIKey is NCMLIMGEMSKPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-15-7-8(14)4-6-13-10-9(11)3-2-5-12-10/h2-3,5,8,14H,4,6-7,11H2,1H3,(H,12,13).
What are the key properties of 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol?
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106243050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).