2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one

C19H20N4O3S — CID 15947675

IUPAC2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CC3C(=O)N(C)C(N)=NC3(c3cccs3)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-22-17(25)14-10-23(16(24)12-5-7-13(26-2)8-6-12)11-19(14,21-18(22)20)15-4-3-9-27-15/h3-9,14H,10-11H2,1-2H3,(H2,20,21)
InChIKeyGOXCYQCAKSDZBP-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.51
Rot. Bonds3

About 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one

2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 15947675) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID15947675
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CC3C(=O)N(C)C(N)=NC3(c3cccs3)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-22-17(25)14-10-23(16(24)12-5-7-13(26-2)8-6-12)11-19(14,21-18(22)20)15-4-3-9-27-15/h3-9,14H,10-11H2,1-2H3,(H2,20,21)
InChIKeyGOXCYQCAKSDZBP-UHFFFAOYSA-N
XLogP1.51
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
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[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
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(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
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2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
CID 86273116
2-(4-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
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methyl (2R)-4-(4-methoxybenzoyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylate
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(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
benzyl (4aR,7aR)-2-amino-7a-[5-(3-amino-5-cyanophenyl)thiophen-2-yl]-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 70317443
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one (CID 15947675) is 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one is COc1ccc(C(=O)N2CC3C(=O)N(C)C(N)=NC3(c3cccs3)C2)cc1.
What is the InChIKey of 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is GOXCYQCAKSDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-22-17(25)14-10-23(16(24)12-5-7-13(26-2)8-6-12)11-19(14,21-18(22)20)15-4-3-9-27-15/h3-9,14H,10-11H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one?
2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 384.46 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxybenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 15947675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).