1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde

C10H14N4O2 — CID 137008216

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESNc1c(N2CCC(C=O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O2/c11-8-9(12-6-13-10(8)16)14-3-1-7(5-15)2-4-14/h5-7H,1-4,11H2,(H,12,13,16)
InChIKeyJUPZVXDKQKLSKT-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.23
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde (PubChem CID 137008216) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
PubChem CID137008216
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESNc1c(N2CCC(C=O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O2/c11-8-9(12-6-13-10(8)16)14-3-1-7(5-15)2-4-14/h5-7H,1-4,11H2,(H,12,13,16)
InChIKeyJUPZVXDKQKLSKT-UHFFFAOYSA-N
XLogP-0.23
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 135568297
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 135575725
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135575738
N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792778
5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972887
4-(4-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136973301
5-amino-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973345
5-amino-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974649
5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136977498
5-amino-4-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136977752
5-amino-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977979

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde (CID 137008216) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde is Nc1c(N2CCC(C=O)CC2)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
The InChIKey is JUPZVXDKQKLSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8-9(12-6-13-10(8)16)14-3-1-7(5-15)2-4-14/h5-7H,1-4,11H2,(H,12,13,16).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 137008216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).