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

C11H17N3O2 — CID 103241378

IUPAC2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-14(2)5-6-16-10-7-9(15)12-11(13-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyFPGQQPVZXVNQOJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.59
Rot. Bonds5

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

2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241378) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID103241378
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-14(2)5-6-16-10-7-9(15)12-11(13-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyFPGQQPVZXVNQOJ-UHFFFAOYSA-N
XLogP0.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635338
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
4-(2-butoxyethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240432
2-cyclopropyl-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240582
2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240606

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (CID 103241378) is 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is CN(C)CCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is FPGQQPVZXVNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(2)5-6-16-10-7-9(15)12-11(13-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).