methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

C10H13N3O3 — CID 137007687

IUPACmethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-10(15)7-2-3-13(5-7)8-4-9(14)12-6-11-8/h4,6-7H,2-3,5H2,1H3,(H,11,12,14)
InChIKeyVPAHJXYOYFVDQM-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.23
Rot. Bonds2

About methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 137007687) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID137007687
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-10(15)7-2-3-13(5-7)8-4-9(14)12-6-11-8/h4,6-7H,2-3,5H2,1H3,(H,11,12,14)
InChIKeyVPAHJXYOYFVDQM-UHFFFAOYSA-N
XLogP-0.23
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689837
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794233
4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136957945
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958828
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958831
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958878
3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958883
4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958916
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136959258
methyl 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 136989695
methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 136989696
methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989697

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (CID 137007687) is methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is VPAHJXYOYFVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-10(15)7-2-3-13(5-7)8-4-9(14)12-6-11-8/h4,6-7H,2-3,5H2,1H3,(H,11,12,14).
What are the key properties of methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 137007687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).