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

C10H14N4O2 — CID 136679115

IUPAC4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCN1CCN(c2nc[nH]c(=O)c2C=O)CC1
InChIInChI=1S/C10H14N4O2/c1-13-2-4-14(5-3-13)9-8(6-15)10(16)12-7-11-9/h6-7H,2-5H2,1H3,(H,11,12,16)
InChIKeyAXTKXWZJLRUGPY-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.67
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde (PubChem CID 136679115) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
PubChem CID136679115
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCN1CCN(c2nc[nH]c(=O)c2C=O)CC1
InChIInChI=1S/C10H14N4O2/c1-13-2-4-14(5-3-13)9-8(6-15)10(16)12-7-11-9/h6-7H,2-5H2,1H3,(H,11,12,16)
InChIKeyAXTKXWZJLRUGPY-UHFFFAOYSA-N
XLogP-0.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde (CID 136679115) is 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde is CN1CCN(c2nc[nH]c(=O)c2C=O)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The InChIKey is AXTKXWZJLRUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-2-4-14(5-3-13)9-8(6-15)10(16)12-7-11-9/h6-7H,2-5H2,1H3,(H,11,12,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde?
4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 136679115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).