3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol

C14H25N3O2S — CID 106155064

IUPAC3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O2S/c1-9(11(8-18)20-5)16-12-7-6-10(15)13(17-12)19-14(2,3)4/h6-7,9,11,18H,8,15H2,1-5H3,(H,16,17)
InChIKeySIHYFTLXIKSMRP-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.37
Rot. Bonds6

About 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol

3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106155064) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106155064
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O2S/c1-9(11(8-18)20-5)16-12-7-6-10(15)13(17-12)19-14(2,3)4/h6-7,9,11,18H,8,15H2,1-5H3,(H,16,17)
InChIKeySIHYFTLXIKSMRP-UHFFFAOYSA-N
XLogP2.37
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
CID 43498929
(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79248758
2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63842748
3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 114151096
2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 104827461
3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162990
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 43567853
3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 106159122
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402670
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 63982043
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106719

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol (CID 106155064) is 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is SIHYFTLXIKSMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-9(11(8-18)20-5)16-12-7-6-10(15)13(17-12)19-14(2,3)4/h6-7,9,11,18H,8,15H2,1-5H3,(H,16,17).
What are the key properties of 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol?
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 299.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106155064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).