propyl 2-(2-oxopyrimidin-1-yl)acetate

C9H12N2O3 — CID 112727109

IUPACpropyl 2-(2-oxopyrimidin-1-yl)acetate
SMILESCCCOC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H12N2O3/c1-2-6-14-8(12)7-11-5-3-4-10-9(11)13/h3-5H,2,6-7H2,1H3
InChIKeyBWHQRBYOXRCQFO-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.20
Rot. Bonds4

About propyl 2-(2-oxopyrimidin-1-yl)acetate

propyl 2-(2-oxopyrimidin-1-yl)acetate (PubChem CID 112727109) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is propyl 2-(2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(2-oxopyrimidin-1-yl)acetate
PubChem CID112727109
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namepropyl 2-(2-oxopyrimidin-1-yl)acetate
SMILESCCCOC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H12N2O3/c1-2-6-14-8(12)7-11-5-3-4-10-9(11)13/h3-5H,2,6-7H2,1H3
InChIKeyBWHQRBYOXRCQFO-UHFFFAOYSA-N
XLogP0.20
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate
CID 53910024
1-Ethoxycarbonylmethyl-5-fluoropyrimid-2-one
CID 20494297
Ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate
CID 81296532
Ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate
CID 81298633
Ethyl 2-(5-chloro-2-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81677214
Ethyl 2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetate
CID 945735
Ethyl 2-(2-oxopyrimidin-1-yl)acetate
CID 13306026
1-Ethoxycarbonylmethyl-5-chloropyrimid-2-one
CID 13306027
2-(2-Oxopyrimidin-1-yl)ethyl 2,2-dimethylbutanoate
CID 59779777
2-(2H-pyrimidine-1-carbonylamino)ethyl acetate
CID 69721279
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
ethyl 2-(2H-pyrimidin-1-yl)acetate
CID 140392986

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-oxopyrimidin-1-yl)acetate?
The IUPAC name of propyl 2-(2-oxopyrimidin-1-yl)acetate (CID 112727109) is propyl 2-(2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for propyl 2-(2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for propyl 2-(2-oxopyrimidin-1-yl)acetate is CCCOC(=O)Cn1cccnc1=O.
What is the InChIKey of propyl 2-(2-oxopyrimidin-1-yl)acetate?
The InChIKey is BWHQRBYOXRCQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-6-14-8(12)7-11-5-3-4-10-9(11)13/h3-5H,2,6-7H2,1H3.
What are the key properties of propyl 2-(2-oxopyrimidin-1-yl)acetate?
propyl 2-(2-oxopyrimidin-1-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 112727109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).