methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate

C11H17N3O3 — CID 135850718

IUPACmethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCN(CC)c1nc(CC(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-4-14(5-2)11-12-8(6-9(15)13-11)7-10(16)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyLMQMCICGTMPZSN-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.33
Rot. Bonds5

About methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate

methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate (PubChem CID 135850718) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
PubChem CID135850718
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCN(CC)c1nc(CC(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-4-14(5-2)11-12-8(6-9(15)13-11)7-10(16)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyLMQMCICGTMPZSN-UHFFFAOYSA-N
XLogP0.33
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135528313
Ethyl 2-amino-1,6-dihydro-6-oxo-4-pyrimidineacetate
CID 135471846
Methyl 2-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)acetate
CID 135483586
Methyl 2-(2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrimidin-6-yl)acetate
CID 135744001
Methyl [6-hydroxy-2-(morpholin-4-yl)pyrimidin-4-yl]acetate
CID 135645674
2-(diethylamino)-4-ethyl-1H-pyrimidin-6-one
CID 135596649
2-(2-(Diethylamino)-6-hydroxypyrimidin-4-yl)acetic acid
CID 135741829
2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
CID 135840404
4-Hydroxy-2-ethylaminopyrimidin-6-yl acetic acid
CID 135840405
2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 135850719
ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850722
ethyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850724

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The IUPAC name of methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate (CID 135850718) is methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate is CCN(CC)c1nc(CC(=O)OC)cc(=O)[nH]1.
What is the InChIKey of methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The InChIKey is LMQMCICGTMPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14(5-2)11-12-8(6-9(15)13-11)7-10(16)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15).
What are the key properties of methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate is sourced from PubChem (CID 135850718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).