propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

C8H10N2O4 — CID 23273875

IUPACpropyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-2-3-14-7(12)5-4-6(11)10-8(13)9-5/h4H,2-3H2,1H3,(H2,9,10,11,13)
InChIKeySMCYGOJTZRUCAE-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.37
Rot. Bonds3

About propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23273875) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23273875
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namepropyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-2-3-14-7(12)5-4-6(11)10-8(13)9-5/h4H,2-3H2,1H3,(H2,9,10,11,13)
InChIKeySMCYGOJTZRUCAE-UHFFFAOYSA-N
XLogP-0.37
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
CID 80257
Orotic acid butyl ester
CID 73015
Hexyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 70521246
Methyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 14028158
Ethyl orotate
CID 549450
Orotic acid, 1,3-dimethyl-, methyl ester
CID 557715
Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
CID 3086279
Ethyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 130005141
Diethyl (z)-2-(acetylamino)-2-butenedioate
CID 88326188
1-Ethyl 4-methyl (z)-2-(acetylamino)-2-butendioate
CID 129708029
Ethyl 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 21794637
Ethyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
CID 362785

Frequently Asked Questions

What is the IUPAC name of propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23273875) is propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is CCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is SMCYGOJTZRUCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-3-14-7(12)5-4-6(11)10-8(13)9-5/h4H,2-3H2,1H3,(H2,9,10,11,13).
What are the key properties of propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23273875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).