2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C13H12N4OS — CID 135456707

IUPAC2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1
InChIInChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18)
InChIKeyVWYPIOVWHNNYFB-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.29
Rot. Bonds2

About 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135456707) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135456707
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1
InChIInChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18)
InChIKeyVWYPIOVWHNNYFB-UHFFFAOYSA-N
XLogP2.29
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-ethyl-5-(naphthalen-2-ylsulfanyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135461208
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135427960
2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135475906
2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135511915
2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135530074
2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135543610
2-Amino-5-(4-bromo-3-chloro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135502983
2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135399661
2-amino-5-[(3-bromophenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135427959
2-amino-6-ethyl-5-(naphthalen-1-ylsulfanyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135487332
2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135491882

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135456707) is 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1.
What is the InChIKey of 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is VWYPIOVWHNNYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18).
What are the key properties of 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-phenylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135456707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).