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

C11H16N4O3 — CID 136989705

IUPACmethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H16N4O3/c1-18-11(17)7-3-2-4-15(5-7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyKBURGZQIPQZPSH-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.26
Rot. Bonds2

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

methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 136989705) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID136989705
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H16N4O3/c1-18-11(17)7-3-2-4-15(5-7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyKBURGZQIPQZPSH-UHFFFAOYSA-N
XLogP-0.26
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.26
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)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate (CID 136989705) is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is KBURGZQIPQZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-11(17)7-3-2-4-15(5-7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16).
What are the key properties of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.26, 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)piperidine-3-carboxylate is sourced from PubChem (CID 136989705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).