4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C11H17N3O4 — CID 136706910

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(OC)C(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-16-7-4-14(5-8(7)17-2)10-9(18-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyNTPVZPOPOWGNRV-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.37
Rot. Bonds4

About 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136706910) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136706910
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(OC)C(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-16-7-4-14(5-8(7)17-2)10-9(18-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyNTPVZPOPOWGNRV-UHFFFAOYSA-N
XLogP-0.37
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
(3S,4S)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689834
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276
5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978862
5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008974
4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979708
5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137009197
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973295
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958326
5-methoxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 137009772

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136706910) is 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(OC)C(OC)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NTPVZPOPOWGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-16-7-4-14(5-8(7)17-2)10-9(18-3)11(15)13-6-12-10/h6-8H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136706910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).