4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde

C11H16N4O2 — CID 54613760

IUPAC4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESCn1c(N2CCCCC2)nc(N)c(C=O)c1=O
InChIInChI=1S/C11H16N4O2/c1-14-10(17)8(7-16)9(12)13-11(14)15-5-3-2-4-6-15/h7H,2-6,12H2,1H3
InChIKeyARBXMEBSADDZJY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.17
Rot. Bonds2

About 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde

4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde (PubChem CID 54613760) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
PubChem CID54613760
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESCn1c(N2CCCCC2)nc(N)c(C=O)c1=O
InChIInChI=1S/C11H16N4O2/c1-14-10(17)8(7-16)9(12)13-11(14)15-5-3-2-4-6-15/h7H,2-6,12H2,1H3
InChIKeyARBXMEBSADDZJY-UHFFFAOYSA-N
XLogP0.17
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde (CID 54613760) is 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde is Cn1c(N2CCCCC2)nc(N)c(C=O)c1=O.
What is the InChIKey of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?
The InChIKey is ARBXMEBSADDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-10(17)8(7-16)9(12)13-11(14)15-5-3-2-4-6-15/h7H,2-6,12H2,1H3.
What are the key properties of 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde?
4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 54613760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).