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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Related Compounds

Isopropyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-1-yl)acetate
CID 12129795
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetic acid methyl ester
CID 15047492
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
CID 138968519
ethyl 2-(6-but-3-enyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968655
ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968656
Methyl 3-butyl-2,6-dioxopyrimidine-4-carboxylate
CID 59363752
6-[3-(2-Methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione
CID 67689780
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
CID 43356391
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate
CID 43407399
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
CID 43422775
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
CID 43623290

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).