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

C10H14N4O2 — CID 137008207

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESNc1c(N2CCCCC2C=O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O2/c11-8-9(12-6-13-10(8)16)14-4-2-1-3-7(14)5-15/h5-7H,1-4,11H2,(H,12,13,16)
InChIKeyMVGLEYVQZXDJDA-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.09
Rot. Bonds2

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

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (PubChem CID 137008207) 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-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
PubChem CID137008207
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESNc1c(N2CCCCC2C=O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O2/c11-8-9(12-6-13-10(8)16)14-4-2-1-3-7(14)5-15/h5-7H,1-4,11H2,(H,12,13,16)
InChIKeyMVGLEYVQZXDJDA-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
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

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
CID 136971080
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
CID 136971081
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
CID 136971082
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 136971083
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 136971084
4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136973310
5-amino-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973345
5-amino-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136975251
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 136990127
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008212
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008213
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008214

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (CID 137008207) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is Nc1c(N2CCCCC2C=O)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The InChIKey is MVGLEYVQZXDJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8-9(12-6-13-10(8)16)14-4-2-1-3-7(14)5-15/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-2-carbaldehyde?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of -0.09, 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-2-carbaldehyde is sourced from PubChem (CID 137008207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).