methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate

C10H14N2O4 — CID 79367131

IUPACmethyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H14N2O4/c1-7-6-8(13)12(10(11-7)16-3)5-4-9(14)15-2/h6H,4-5H2,1-3H3
InChIKeyHQKWXKDEGPKFIO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.12
Rot. Bonds4

About methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate

methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate (PubChem CID 79367131) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate
PubChem CID79367131
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H14N2O4/c1-7-6-8(13)12(10(11-7)16-3)5-4-9(14)15-2/h6H,4-5H2,1-3H3
InChIKeyHQKWXKDEGPKFIO-UHFFFAOYSA-N
XLogP0.12
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate (CID 79367131) is methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate is COC(=O)CCn1c(OC)nc(C)cc1=O.
What is the InChIKey of methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The InChIKey is HQKWXKDEGPKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-6-8(13)12(10(11-7)16-3)5-4-9(14)15-2/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 79367131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).