methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

C10H12ClN3O3 — CID 137007538

IUPACmethyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H12ClN3O3/c1-17-10(16)6-3-2-4-14(6)8-7(11)9(15)13-5-12-8/h5-6H,2-4H2,1H3,(H,12,13,15)
InChIKeyIYBUFWNBAYDZGI-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.57
Rot. Bonds2

About methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 137007538) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID137007538
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Namemethyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H12ClN3O3/c1-17-10(16)6-3-2-4-14(6)8-7(11)9(15)13-5-12-8/h5-6H,2-4H2,1H3,(H,12,13,15)
InChIKeyIYBUFWNBAYDZGI-UHFFFAOYSA-N
XLogP0.57
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 137007538) is methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is IYBUFWNBAYDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-17-10(16)6-3-2-4-14(6)8-7(11)9(15)13-5-12-8/h5-6H,2-4H2,1H3,(H,12,13,15).
What are the key properties of methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 257.68 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 137007538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).