2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C13H19N3O3 — CID 136706909

IUPAC2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC1OC
InChIInChI=1S/C13H19N3O3/c1-18-9-6-16(7-10(9)19-2)11-5-12(17)15-13(14-11)8-3-4-8/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyXAPASIVNONOEOX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.50
Rot. Bonds4

About 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136706909) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136706909
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC1OC
InChIInChI=1S/C13H19N3O3/c1-18-9-6-16(7-10(9)19-2)11-5-12(17)15-13(14-11)8-3-4-8/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyXAPASIVNONOEOX-UHFFFAOYSA-N
XLogP0.50
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136706909) is 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is COC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC1OC.
What is the InChIKey of 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is XAPASIVNONOEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-9-6-16(7-10(9)19-2)11-5-12(17)15-13(14-11)8-3-4-8/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).