4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 103241415

IUPAC4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-14(5-2)6-7-17-11-9(16-3)10(15)12-8-13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyBZSNRCVCIZNOQC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.50
Rot. Bonds7

About 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one

4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241415) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241415
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-14(5-2)6-7-17-11-9(16-3)10(15)12-8-13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyBZSNRCVCIZNOQC-UHFFFAOYSA-N
XLogP0.50
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
CID 130718959
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
ethane;5-propoxy-1H-pyrimidin-6-one
CID 172330002
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
4-heptoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240423

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one (CID 103241415) is 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one is CCN(CC)CCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BZSNRCVCIZNOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-14(5-2)6-7-17-11-9(16-3)10(15)12-8-13-11/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).