3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide

C9H14N4OS — CID 115331106

IUPAC3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSc1nc(C)cc(N)n1
InChIInChI=1S/C9H14N4OS/c1-6-5-7(10)13-9(12-6)15-4-3-8(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)(H2,10,12,13)
InChIKeyOOVSYLKGJGXXOW-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.60
Rot. Bonds4

About 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide (PubChem CID 115331106) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
PubChem CID115331106
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSc1nc(C)cc(N)n1
InChIInChI=1S/C9H14N4OS/c1-6-5-7(10)13-9(12-6)15-4-3-8(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)(H2,10,12,13)
InChIKeyOOVSYLKGJGXXOW-UHFFFAOYSA-N
XLogP0.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47023814
methyl 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoate
CID 115279578
3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 39049006
2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
CID 79026200
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 115279669
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 40669544
N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 62627578
5-(4-amino-6-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 60613840
4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
CID 79176670
2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331181

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
The IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide (CID 115331106) is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
The canonical SMILES for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide is CNC(=O)CCSc1nc(C)cc(N)n1.
What is the InChIKey of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
The InChIKey is OOVSYLKGJGXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-5-7(10)13-9(12-6)15-4-3-8(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)(H2,10,12,13).
What are the key properties of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide has a molecular weight of 226.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 115331106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).