4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one

C9H15N3O2 — CID 136957655

IUPAC4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CCOC)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-3-12(4-5-14-2)8-6-9(13)11-7-10-8/h6-7H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyGCHFXSVDGMIOQI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.24
Rot. Bonds5

About 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one

4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957655) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957655
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CCOC)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-3-12(4-5-14-2)8-6-9(13)11-7-10-8/h6-7H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyGCHFXSVDGMIOQI-UHFFFAOYSA-N
XLogP0.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Morpholinopyrimidin-4-ol
CID 136128233
4-[2-(fluoromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 157738230
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737797
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737804
4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)acetamide
CID 839271
2,6-Diamino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525147
2-Amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525155
6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
3-methyl-6-morpholinopyrimidin-4(3H)-one
CID 132451604

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one (CID 136957655) is 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one is CCN(CCOC)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GCHFXSVDGMIOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-12(4-5-14-2)8-6-9(13)11-7-10-8/h6-7H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).