2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C19H16N4O3S — CID 137100794

IUPAC2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)c1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2ccccc2)cc1
InChIInChI=1S/C19H16N4O3S/c1-27(25,26)13-9-7-12(8-10-13)16-14(11-5-3-2-4-6-11)15-17(21-16)22-19(20)23-18(15)24/h2-10H,1H3,(H4,20,21,22,23,24)
InChIKeySAEXODHLEZKYGG-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137100794) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137100794
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)c1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2ccccc2)cc1
InChIInChI=1S/C19H16N4O3S/c1-27(25,26)13-9-7-12(8-10-13)16-14(11-5-3-2-4-6-11)15-17(21-16)22-19(20)23-18(15)24/h2-10H,1H3,(H4,20,21,22,23,24)
InChIKeySAEXODHLEZKYGG-UHFFFAOYSA-N
XLogP2.57
TPSA121.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzoyl-2-[3-(methylsulfanyl)propyl]-5-phenyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137226418
2-amino-6-ethyl-5-(naphthalen-2-ylsulfanyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135461208
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
2-amino-6-ethyl-5-(naphthalen-1-ylsulfanyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135487332
2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfanyl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135964391
2-Amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136862205
2-Amino-6-(3-methylsulfonylphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 137100786
2-Amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100789
2-Amino-5,6-bis(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100792
2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135399909
2-Amino-6-methyl-5-(naphthalen-2-ylsulfanyl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 136035725

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137100794) is 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CS(=O)(=O)c1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is SAEXODHLEZKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-27(25,26)13-9-7-12(8-10-13)16-14(11-5-3-2-4-6-11)15-17(21-16)22-19(20)23-18(15)24/h2-10H,1H3,(H4,20,21,22,23,24).
What are the key properties of 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 380.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methylsulfonylphenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137100794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).