2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C18H16N4OS — CID 135461208

IUPAC2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
InChIInChI=1S/C18H16N4OS/c1-2-13-15(14-16(20-13)21-18(19)22-17(14)23)24-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H4,19,20,21,22,23)
InChIKeyGWFWUVLSFKBNLH-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.70
Rot. Bonds3

About 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135461208) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135461208
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
InChIInChI=1S/C18H16N4OS/c1-2-13-15(14-16(20-13)21-18(19)22-17(14)23)24-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H4,19,20,21,22,23)
InChIKeyGWFWUVLSFKBNLH-UHFFFAOYSA-N
XLogP3.70
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-Amino-5-(Phenylsulfanyl)-3,9-Dihydro-4h-Pyrimido[4,5-B]indol-4-One
CID 135566834
2-Amino-5-(1-Naphthylsulfanyl)-3,9-Dihydro-4h-Pyrimido[4,5-B]indol-4-One
CID 135566835
2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135399661
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
4-(2-Amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylsulfanyl)-benzonitrile
CID 135964392
2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135964413
2-Amino-5-naphthalen-2-ylsulfanyl-3,9-dihydropyrimido[4,5-b]indol-4-one
CID 136227773
2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135399909
2-amino-5-{[3,5-bis(trifluoromethyl)phenyl]sulfanyl}-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135453109
2-Amino-5-(4-fluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135516724
2-Amino-5-(3-fluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135964387

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135461208) is 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1.
What is the InChIKey of 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GWFWUVLSFKBNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-2-13-15(14-16(20-13)21-18(19)22-17(14)23)24-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H4,19,20,21,22,23).
What are the key properties of 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 336.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-5-naphthalen-2-ylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135461208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).