4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one

C14H25N3O2 — CID 103241880

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H25N3O2/c1-6-12-15-13(18)9-14(16-12)19-8-7-17(10(2)3)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,16,18)
InChIKeyAVIYVRPXYUNLOD-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.83
Rot. Bonds7

About 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one

4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103241880) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one
PubChem CID103241880
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H25N3O2/c1-6-12-15-13(18)9-14(16-12)19-8-7-17(10(2)3)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,16,18)
InChIKeyAVIYVRPXYUNLOD-UHFFFAOYSA-N
XLogP1.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
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-butoxy-2-ethyl-1H-pyrimidin-6-one
CID 103240835
2-ethyl-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 103240873
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
4-[2-(dimethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241381
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one (CID 103241880) is 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is AVIYVRPXYUNLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-12-15-13(18)9-14(16-12)19-8-7-17(10(2)3)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,16,18).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one?
4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).