4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde

C11H15N3O2 — CID 136679116

IUPAC4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCC1CCN(c2nc[nH]c(=O)c2C=O)CC1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-14(5-3-8)10-9(6-15)11(16)13-7-12-10/h6-8H,2-5H2,1H3,(H,12,13,16)
InChIKeyCUGWKPDDRAVCCD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.82
Rot. Bonds2

About 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde

4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde (PubChem CID 136679116) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
PubChem CID136679116
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCC1CCN(c2nc[nH]c(=O)c2C=O)CC1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-14(5-3-8)10-9(6-15)11(16)13-7-12-10/h6-8H,2-5H2,1H3,(H,12,13,16)
InChIKeyCUGWKPDDRAVCCD-UHFFFAOYSA-N
XLogP0.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
CID 54613760
5-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110849117
4-amino-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
CID 136261183
4-amino-2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136261186
4-amino-2-(3,5-dimethylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136261187
6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
CID 136679113
4-(diethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136679114
4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136679115
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 137008221
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 137008222
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 137008223

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde (CID 136679116) is 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde is CC1CCN(c2nc[nH]c(=O)c2C=O)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The InChIKey is CUGWKPDDRAVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-4-14(5-3-8)10-9(6-15)11(16)13-7-12-10/h6-8H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 136679116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).