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

C10H14N4O3 — CID 137007533

IUPACmethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H14N4O3/c1-17-10(16)6-3-2-4-14(6)8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,12,13,15)
InChIKeyAHDWBDVGVAQELO-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.51
Rot. Bonds2

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

methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 137007533) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID137007533
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H14N4O3/c1-17-10(16)6-3-2-4-14(6)8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,12,13,15)
InChIKeyAHDWBDVGVAQELO-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 137007533) is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is AHDWBDVGVAQELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-10(16)6-3-2-4-14(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-2-carboxylate?
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.51, 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-2-carboxylate is sourced from PubChem (CID 137007533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).