ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate

C9H12N2O3 — CID 135416561

IUPACethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-3-14-8(12)4-7-6(2)10-5-11-9(7)13/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyXJTKXMQRNDUUMP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.18
Rot. Bonds3

About ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate

ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate (PubChem CID 135416561) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
PubChem CID135416561
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-3-14-8(12)4-7-6(2)10-5-11-9(7)13/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyXJTKXMQRNDUUMP-UHFFFAOYSA-N
XLogP0.18
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135422502
ethyl 2-[4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093259
ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
CID 54026000
CID 158810794
CID 158810794
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007638
ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate
CID 125046751
ethyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetate
CID 3659581
ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 136597750
ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134675939
ethyl 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103382

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate (CID 135416561) is ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate is CCOC(=O)Cc1c(C)nc[nH]c1=O.
What is the InChIKey of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is XJTKXMQRNDUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-14-8(12)4-7-6(2)10-5-11-9(7)13/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 135416561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).