2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C18H19N3O3 — CID 154769069

IUPAC2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(CC(=O)N2Cc3nc(C4CC4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C18H19N3O3/c1-24-13-6-2-11(3-7-13)8-16(22)21-9-14-15(10-21)19-17(12-4-5-12)20-18(14)23/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,20,23)
InChIKeyVJYXIQRFEAZTMS-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.74
Rot. Bonds4

About 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 154769069) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID154769069
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(CC(=O)N2Cc3nc(C4CC4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C18H19N3O3/c1-24-13-6-2-11(3-7-13)8-16(22)21-9-14-15(10-21)19-17(12-4-5-12)20-18(14)23/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,20,23)
InChIKeyVJYXIQRFEAZTMS-UHFFFAOYSA-N
XLogP1.74
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-2-[(3S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774935
2-cyclohexyl-7-[(4-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865920
6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795909
6-(cyclopropanecarbonyl)-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735552
6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136850300
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735616
7-(cyclopropanecarbonyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681393
7-(cyclopropanecarbonyl)-2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136797039
2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 167892501
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
7-[(4-methoxyphenyl)methyl]-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137036566
7-acetyl-2-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136797000

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 154769069) is 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is COc1ccc(CC(=O)N2Cc3nc(C4CC4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is VJYXIQRFEAZTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-13-6-2-11(3-7-13)8-16(22)21-9-14-15(10-21)19-17(12-4-5-12)20-18(14)23/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,20,23).
What are the key properties of 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[2-(4-methoxyphenyl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154769069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).