2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one

C13H19N3O2 — CID 102741497

IUPAC2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCN(CCOc1cc(=O)[nH]c(C2CC2)n1)C1CC1
InChIInChI=1S/C13H19N3O2/c1-16(10-4-5-10)6-7-18-12-8-11(17)14-13(15-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyJRPVHLNTVFIICZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.12
Rot. Bonds6

About 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one (PubChem CID 102741497) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
PubChem CID102741497
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCN(CCOc1cc(=O)[nH]c(C2CC2)n1)C1CC1
InChIInChI=1S/C13H19N3O2/c1-16(10-4-5-10)6-7-18-12-8-11(17)14-13(15-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyJRPVHLNTVFIICZ-UHFFFAOYSA-N
XLogP1.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
2-cyclopropyl-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240673
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
4-[2-(dimethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241382
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241384
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413
4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241417
4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241418
4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241422

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one (CID 102741497) is 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one is CN(CCOc1cc(=O)[nH]c(C2CC2)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is JRPVHLNTVFIICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(10-4-5-10)6-7-18-12-8-11(17)14-13(15-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 102741497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).