2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid

C8H10N2O4 — CID 82398486

IUPAC2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESCCc1c(CC(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-4-5(3-6(11)12)9-8(14)10-7(4)13/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeySCBNOVLPHFXYMQ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.75
Rot. Bonds3

About 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid

2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 82398486) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID82398486
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESCCc1c(CC(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-4-5(3-6(11)12)9-8(14)10-7(4)13/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeySCBNOVLPHFXYMQ-UHFFFAOYSA-N
XLogP-0.75
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 743202
2-(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)acetic acid, oxamethane
CID 18529801
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 70284120
2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 83482974
2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150164704
6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 150802658
2-[5-(aminomethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetic acid
CID 151414218
carbon dioxide;6-ethyl-5-methyl-1H-pyrimidine-2,4-dione
CID 176541353
(3,6-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690728
3-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 82398483
2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 82406851
2-(3-Tert-butyl-2,6-dioxopyrimidin-4-yl)acetic acid
CID 83852490

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (CID 82398486) is 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is CCc1c(CC(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is SCBNOVLPHFXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-4-5(3-6(11)12)9-8(14)10-7(4)13/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14).
What are the key properties of 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 82398486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).