methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

C10H14N4O3 — CID 137007686

IUPACmethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H14N4O3/c1-17-10(16)6-2-3-14(4-6)8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,12,13,15)
InChIKeyGFJIHGYORUFGCS-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.65
Rot. Bonds2

About methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 137007686) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID137007686
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H14N4O3/c1-17-10(16)6-2-3-14(4-6)8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,12,13,15)
InChIKeyGFJIHGYORUFGCS-UHFFFAOYSA-N
XLogP-0.65
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 135575725
(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689836
3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689861
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794230
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 136958877
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 136958882
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136958915
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 136959257
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136959739
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (CID 137007686) is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is GFJIHGYORUFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-10(16)6-2-3-14(4-6)8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,12,13,15).
What are the key properties of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 137007686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).