(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol

C12H19N3OS — CID 103595651

IUPAC(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCc1cnc(N)c(C(O)C2CSCCN2C)c1
InChIInChI=1S/C12H19N3OS/c1-8-5-9(12(13)14-6-8)11(16)10-7-17-4-3-15(10)2/h5-6,10-11,16H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyPYNJHWITALDDFR-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.05
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol

(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol (PubChem CID 103595651) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
PubChem CID103595651
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCc1cnc(N)c(C(O)C2CSCCN2C)c1
InChIInChI=1S/C12H19N3OS/c1-8-5-9(12(13)14-6-8)11(16)10-7-17-4-3-15(10)2/h5-6,10-11,16H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyPYNJHWITALDDFR-UHFFFAOYSA-N
XLogP1.05
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595654
[(5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446255
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595528
3-[(1,4-dimethyl-1,4-diazepan-2-yl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105261374
(2-amino-5-methyl-3-pyridinyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 65411370
1-(2-amino-5-methyl-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414904
(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595608
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444597
3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine
CID 106446429
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444784
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol (CID 103595651) is (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol is Cc1cnc(N)c(C(O)C2CSCCN2C)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol?
The InChIKey is PYNJHWITALDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-5-9(12(13)14-6-8)11(16)10-7-17-4-3-15(10)2/h5-6,10-11,16H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol?
(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol has a molecular weight of 253.37 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 103595651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).