2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide

C23H30N4O5 — CID 71958253

IUPAC2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NCC2CCCO2)C3)cc1
InChIInChI=1S/C23H30N4O5/c1-23(2,21(29)24-12-16-6-5-11-32-16)27-13-17-18(20(27)28)19(25-22(30)26(17)3)14-7-9-15(31-4)10-8-14/h7-10,16,19H,5-6,11-13H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyMRRHXAIEXPACKX-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.56
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide

2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 71958253) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID71958253
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NCC2CCCO2)C3)cc1
InChIInChI=1S/C23H30N4O5/c1-23(2,21(29)24-12-16-6-5-11-32-16)27-13-17-18(20(27)28)19(25-22(30)26(17)3)14-7-9-15(31-4)10-8-14/h7-10,16,19H,5-6,11-13H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyMRRHXAIEXPACKX-UHFFFAOYSA-N
XLogP1.56
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide with MolForge

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Related Compounds

2-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 42818646
2-hydroxy-N-[(4S)-4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzamide
CID 51689032
(2R)-3-methyl-2-[(4S)-1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93134876
(4R)-6-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112372
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
6-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 43995228
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide (CID 71958253) is 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide is COc1ccc(C2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NCC2CCCO2)C3)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MRRHXAIEXPACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-23(2,21(29)24-12-16-6-5-11-32-16)27-13-17-18(20(27)28)19(25-22(30)26(17)3)14-7-9-15(31-4)10-8-14/h7-10,16,19H,5-6,11-13H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 442.52 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 71958253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).