2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C17H19N7O2S — CID 2708740

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CSc2nc(N)cc(N)n2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H19N7O2S/c1-10-15(16(26)24(23(10)2)11-6-4-3-5-7-11)22-14(25)9-27-17-20-12(18)8-13(19)21-17/h3-8H,9H2,1-2H3,(H,22,25)(H4,18,19,20,21)
InChIKeyPOOCJIYQGDAGND-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.17
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 2708740) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID2708740
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CSc2nc(N)cc(N)n2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H19N7O2S/c1-10-15(16(26)24(23(10)2)11-6-4-3-5-7-11)22-14(25)9-27-17-20-12(18)8-13(19)21-17/h3-8H,9H2,1-2H3,(H,22,25)(H4,18,19,20,21)
InChIKeyPOOCJIYQGDAGND-UHFFFAOYSA-N
XLogP1.17
TPSA133.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 2474913
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2524473
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1147475
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 2342433
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2368077
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4843068
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9493889
N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide
CID 24819676
3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 851323
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2355231
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 788521
Urea, 1-(4-antipyrinyl)-3-(2-(6-methylpyridyl))-2-thio-
CID 3057094

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 2708740) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CSc2nc(N)cc(N)n2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is POOCJIYQGDAGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c1-10-15(16(26)24(23(10)2)11-6-4-3-5-7-11)22-14(25)9-27-17-20-12(18)8-13(19)21-17/h3-8H,9H2,1-2H3,(H,22,25)(H4,18,19,20,21).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2708740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).