2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

C14H16N2O3 — CID 61369779

IUPAC2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCOc1cccc(N2C(=O)CC3CCCN3C2=O)c1
InChIInChI=1S/C14H16N2O3/c1-19-12-6-2-4-11(8-12)16-13(17)9-10-5-3-7-15(10)14(16)18/h2,4,6,8,10H,3,5,7,9H2,1H3
InChIKeyAYWZLPRTNWRNEW-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.02
Rot. Bonds2

About 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 61369779) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID61369779
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCOc1cccc(N2C(=O)CC3CCCN3C2=O)c1
InChIInChI=1S/C14H16N2O3/c1-19-12-6-2-4-11(8-12)16-13(17)9-10-5-3-7-15(10)14(16)18/h2,4,6,8,10H,3,5,7,9H2,1H3
InChIKeyAYWZLPRTNWRNEW-UHFFFAOYSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione with MolForge

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Related Compounds

(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-isoquinoline-1,3-dione
CID 150157753
1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 54924501
(2S)-1-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66924554
(3R)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6959814
4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 102894880
1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773622
1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 71301946
(1S,2S,6S,7S)-4-(3-methoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100810508
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (CID 61369779) is 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is COc1cccc(N2C(=O)CC3CCCN3C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is AYWZLPRTNWRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-12-6-2-4-11(8-12)16-13(17)9-10-5-3-7-15(10)14(16)18/h2,4,6,8,10H,3,5,7,9H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 260.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 61369779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).