(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine

C7H11N3OS — CID 83851940

IUPAC(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine
SMILESCOc1nc(SC)ncc1CN
InChIInChI=1S/C7H11N3OS/c1-11-6-5(3-8)4-9-7(10-6)12-2/h4H,3,8H2,1-2H3
InChIKeyWNHMAAXTIQDUHZ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.67
Rot. Bonds3

About (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine

(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine (PubChem CID 83851940) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine
PubChem CID83851940
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine
SMILESCOc1nc(SC)ncc1CN
InChIInChI=1S/C7H11N3OS/c1-11-6-5(3-8)4-9-7(10-6)12-2/h4H,3,8H2,1-2H3
InChIKeyWNHMAAXTIQDUHZ-UHFFFAOYSA-N
XLogP0.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride
CID 68701908
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852150
(5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine
CID 105453247
[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
CID 83893690
5-(2-aminoethyl)-4-methoxypyrimidin-2-amine
CID 83851815
[2-methylsulfanyl-5-(2-oxopropyl)pyrimidin-4-yl] formate
CID 122448842
7-methoxy-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 151063826
4,5-diethyl-2-methylsulfanylpyrimidine;formamide
CID 175057722
2-(4-amino-2-methylsulfanylpyrimidin-5-yl)acetonitrile
CID 84768192
(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane
CID 71229136
(5-amino-2-methylsulfanylpyrimidin-4-yl) hydrogen carbonate
CID 57286020

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine?
The IUPAC name of (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine (CID 83851940) is (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine?
The canonical SMILES for (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine is COc1nc(SC)ncc1CN.
What is the InChIKey of (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine?
The InChIKey is WNHMAAXTIQDUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-11-6-5(3-8)4-9-7(10-6)12-2/h4H,3,8H2,1-2H3.
What are the key properties of (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine?
(4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine has a molecular weight of 185.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylsulfanylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 83851940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).