2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride

C8H13ClN4OS — CID 117068723

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCNC(=O)CSc1cc(C)nc(N)n1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-5-3-7(12-8(9)11-5)14-4-6(13)10-2;/h3H,4H2,1-2H3,(H,10,13)(H2,9,11,12);1H
InChIKeyATSNCMNINUNVGG-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.63
Rot. Bonds3

About 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride

2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride (PubChem CID 117068723) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
PubChem CID117068723
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCNC(=O)CSc1cc(C)nc(N)n1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-5-3-7(12-8(9)11-5)14-4-6(13)10-2;/h3H,4H2,1-2H3,(H,10,13)(H2,9,11,12);1H
InChIKeyATSNCMNINUNVGG-UHFFFAOYSA-N
XLogP0.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235096
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide
CID 138374054
methyl 3-(2-amino-6-methylpyrimidin-4-yl)sulfanylpropanoate
CID 112724335
methyl 2-[1-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 114000538
4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
CID 130157001
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
CID 158509042
CID 158509042
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
CID 115331106
2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide
CID 130489953

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride (CID 117068723) is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride is CNC(=O)CSc1cc(C)nc(N)n1.Cl.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride?
The InChIKey is ATSNCMNINUNVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS.ClH/c1-5-3-7(12-8(9)11-5)14-4-6(13)10-2;/h3H,4H2,1-2H3,(H,10,13)(H2,9,11,12);1H.
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride?
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride has a molecular weight of 248.74 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 117068723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).