2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

C18H21N3O2S — CID 135516285

IUPAC2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C18H21N3O2S/c1-3-6-14-10-16(22)20-18(19-14)24-11-17(23)21-12(2)9-13-7-4-5-8-15(13)21/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3,(H,19,20,22)
InChIKeyMIHVWRYZAYFGGY-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.79
Rot. Bonds5

About 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135516285) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135516285
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C18H21N3O2S/c1-3-6-14-10-16(22)20-18(19-14)24-11-17(23)21-12(2)9-13-7-4-5-8-15(13)21/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3,(H,19,20,22)
InChIKeyMIHVWRYZAYFGGY-UHFFFAOYSA-N
XLogP2.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
CID 166572
Butamisole
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2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
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N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
3-Methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4129028
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2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
N-(2,4-dimethylphenyl)-2-(3-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 2981149
N-(4-ethylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4462576
N-(4-ethylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673121
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 135516285) is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is MIHVWRYZAYFGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-6-14-10-16(22)20-18(19-14)24-11-17(23)21-12(2)9-13-7-4-5-8-15(13)21/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 343.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135516285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).