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

C12H13N5OS — CID 788521

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H13N5OS/c13-9-6-10(14)17-12(16-9)19-7-11(18)15-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,18)(H4,13,14,16,17)
InChIKeyIRGSJMYDZBSVTR-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.37
Rot. Bonds4

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 788521) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID788521
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H13N5OS/c13-9-6-10(14)17-12(16-9)19-7-11(18)15-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,18)(H4,13,14,16,17)
InChIKeyIRGSJMYDZBSVTR-UHFFFAOYSA-N
XLogP1.37
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-
CID 204268
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide
CID 134433738
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 851324
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1172310
N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea
CID 1484523
(2-Anilino-2-oxoethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 16300904
2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]-N-phenylacetamide
CID 665238
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 1611923
N-{4-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}propanamide
CID 9600790
N-(4-chloro-2-fluorophenyl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1342108
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 851325

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 788521) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide is Nc1cc(N)nc(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is IRGSJMYDZBSVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-9-6-10(14)17-12(16-9)19-7-11(18)15-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,18)(H4,13,14,16,17).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 275.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 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-phenylacetamide is sourced from PubChem (CID 788521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).