2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide

C8H13N5OS — CID 60626717

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C8H13N5OS/c1-13(2)7(14)4-15-8-11-5(9)3-6(10)12-8/h3H,4H2,1-2H3,(H4,9,10,11,12)
InChIKeyIQDVSDCSPVWIPP-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.18
Rot. Bonds3

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 60626717) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID60626717
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C8H13N5OS/c1-13(2)7(14)4-15-8-11-5(9)3-6(10)12-8/h3H,4H2,1-2H3,(H4,9,10,11,12)
InChIKeyIQDVSDCSPVWIPP-UHFFFAOYSA-N
XLogP-0.18
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60666714
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 8806601
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 17414568
2-(4-amino-2,6-difluorophenyl)sulfanyl-N,N-dimethylacetamide
CID 61357517
ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]acetate
CID 647473
2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine
CID 106438643
N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 60704992
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
2-(4,6-diamino-3-chloro-2-fluorophenyl)sulfanyl-N,N-dimethylacetamide
CID 114233299
1-(4-tert-butylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone
CID 40622916
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285
N,N-dimethyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 71296347

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide (CID 60626717) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is IQDVSDCSPVWIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-13(2)7(14)4-15-8-11-5(9)3-6(10)12-8/h3H,4H2,1-2H3,(H4,9,10,11,12).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 227.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 60626717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).