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

C11H16N4O3 — CID 137007703

IUPACmethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O3/c1-18-11(17)7-4-2-3-5-15(7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyFPOUHAPQCKZKMW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.12
Rot. Bonds2

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

methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 137007703) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID137007703
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O3/c1-18-11(17)7-4-2-3-5-15(7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyFPOUHAPQCKZKMW-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 1-[4-(2-butoxy-6,8-dioxo-1,7-dihydropurin-9-yl)butyl]piperidine-2-carboxylate
CID 170151846
Methyl 1-[2-(2-butoxy-6,8-dioxo-1,7-dihydropurin-9-yl)ethyl]piperidine-2-carboxylate
CID 170151850
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896341
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136954402
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958328
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958438
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 136972389
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 136972433
methyl 6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoate
CID 136989652
methyl 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989701
methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989703
methyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989704

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (CID 137007703) is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is FPOUHAPQCKZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-11(17)7-4-2-3-5-15(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-2-carboxylate?
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.12, 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-2-carboxylate is sourced from PubChem (CID 137007703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).