methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate

C10H14N2O4 — CID 22075431

IUPACmethyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
SMILESCCCc1cc(=O)n(CC(=O)OC)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-3-4-7-5-8(13)12(10(15)11-7)6-9(14)16-2/h5H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyATCWLGADNMBPEF-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.34
Rot. Bonds4

About methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate

methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate (PubChem CID 22075431) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
PubChem CID22075431
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
SMILESCCCc1cc(=O)n(CC(=O)OC)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-3-4-7-5-8(13)12(10(15)11-7)6-9(14)16-2/h5H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyATCWLGADNMBPEF-UHFFFAOYSA-N
XLogP-0.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate?
The IUPAC name of methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate (CID 22075431) is methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate?
The canonical SMILES for methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate is CCCc1cc(=O)n(CC(=O)OC)c(=O)[nH]1.
What is the InChIKey of methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate?
The InChIKey is ATCWLGADNMBPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-7-5-8(13)12(10(15)11-7)6-9(14)16-2/h5H,3-4,6H2,1-2H3,(H,11,15).
What are the key properties of methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate?
methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate is sourced from PubChem (CID 22075431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).