methyl 2,5-dihydropyrimidine-5-carboxylate

C6H8N2O2 — CID 54145857

IUPACmethyl 2,5-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1C=NCN=C1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-3,5H,4H2,1H3
InChIKeyOEIGIVKYBVAKIN-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.11
Rot. Bonds1

About methyl 2,5-dihydropyrimidine-5-carboxylate

methyl 2,5-dihydropyrimidine-5-carboxylate (PubChem CID 54145857) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl 2,5-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dihydropyrimidine-5-carboxylate
PubChem CID54145857
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namemethyl 2,5-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1C=NCN=C1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-3,5H,4H2,1H3
InChIKeyOEIGIVKYBVAKIN-UHFFFAOYSA-N
XLogP-0.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2,5-dihydropyrimidine-5-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 3-ethyliminopropanoate
CID 7054794
Ethyl 2-methyl-3-methyliminopropanoate
CID 57007445
Ethyl 3-ethylimino-2-methylpropanoate
CID 57236198
Ethyl 3-carbamoylimino-2-methylpropanoate
CID 57316403
Methyl 3-methyliminopropanoate
CID 91044359
Methyl 2-methyl-3-methyliminopropanoate
CID 91554944
Methyl 3-ethylimino-2-methylpropanoate
CID 123326483
ethyl 2-oxo-5H-pyrimidine-5-carboxylate
CID 45074708
methyl 2-oxo-5H-pyrimidine-5-carboxylate
CID 77519355
methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide
CID 78158188
Methyl 3-methylimino-2-(methyliminomethyl)propanoate
CID 176483605
CID 177559246
CID 177559246

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 2,5-dihydropyrimidine-5-carboxylate (CID 54145857) is methyl 2,5-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,5-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,5-dihydropyrimidine-5-carboxylate is COC(=O)C1C=NCN=C1.
What is the InChIKey of methyl 2,5-dihydropyrimidine-5-carboxylate?
The InChIKey is OEIGIVKYBVAKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2,5-dihydropyrimidine-5-carboxylate?
methyl 2,5-dihydropyrimidine-5-carboxylate has a molecular weight of 140.14 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 54145857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).