2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol

C13H23N3OS — CID 106163426

IUPAC2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cccc(NC(C)C(CO)SC)n1
InChIInChI=1S/C13H23N3OS/c1-4-8-14-12-6-5-7-13(16-12)15-10(2)11(9-17)18-3/h5-7,10-11,17H,4,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyBOUZXOREMHGFEW-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.43
Rot. Bonds8

About 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol

2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol (PubChem CID 106163426) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
PubChem CID106163426
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cccc(NC(C)C(CO)SC)n1
InChIInChI=1S/C13H23N3OS/c1-4-8-14-12-6-5-7-13(16-12)15-10(2)11(9-17)18-3/h5-7,10-11,17H,4,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyBOUZXOREMHGFEW-UHFFFAOYSA-N
XLogP2.43
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 106163470
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
CID 80813524
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 106159122
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163570
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163553
6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpyridine-3-carboxylic acid
CID 106161963

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol (CID 106163426) is 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol is CCCNc1cccc(NC(C)C(CO)SC)n1.
What is the InChIKey of 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol?
The InChIKey is BOUZXOREMHGFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-8-14-12-6-5-7-13(16-12)15-10(2)11(9-17)18-3/h5-7,10-11,17H,4,8-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol?
2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 106163426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).