1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C11H19N3OS — CID 106243671

IUPAC1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cc(C)c(N)cn1
InChIInChI=1S/C11H19N3OS/c1-8-4-10(13-5-9(8)12)14-6-11(2,15)7-16-3/h4-5,15H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyWFQVSIMHPUNFNK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.50
Rot. Bonds5

About 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106243671) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106243671
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cc(C)c(N)cn1
InChIInChI=1S/C11H19N3OS/c1-8-4-10(13-5-9(8)12)14-6-11(2,15)7-16-3/h4-5,15H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyWFQVSIMHPUNFNK-UHFFFAOYSA-N
XLogP1.50
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071
2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
CID 103731198
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine
CID 115147521
2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine
CID 115147522
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248871
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide
CID 79173022
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243794
3-[(4-amino-5-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106275165
1-(2-amino-3-methylanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243761

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106243671) is 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1cc(C)c(N)cn1.
What is the InChIKey of 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is WFQVSIMHPUNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-4-10(13-5-9(8)12)14-6-11(2,15)7-16-3/h4-5,15H,6-7,12H2,1-3H3,(H,13,14).
What are the key properties of 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106243671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).