4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde

C15H24N6O — CID 112888374

IUPAC4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESCCN1CCN(c2nccc(N3CCN(C=O)CC3)n2)CC1
InChIInChI=1S/C15H24N6O/c1-2-18-5-11-21(12-6-18)15-16-4-3-14(17-15)20-9-7-19(13-22)8-10-20/h3-4,13H,2,5-12H2,1H3
InChIKeyGPNIWBXIDSVDIF-UHFFFAOYSA-N
MW304.40 g/mol
LogP-0.10
Rot. Bonds4

About 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde

4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde (PubChem CID 112888374) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
PubChem CID112888374
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESCCN1CCN(c2nccc(N3CCN(C=O)CC3)n2)CC1
InChIInChI=1S/C15H24N6O/c1-2-18-5-11-21(12-6-18)15-16-4-3-14(17-15)20-9-7-19(13-22)8-10-20/h3-4,13H,2,5-12H2,1H3
InChIKeyGPNIWBXIDSVDIF-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870818
2-(4-ethylpiperazin-1-yl)-4-(trichloromethyl)pyrimidine
CID 70394813
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109302704
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-[2-(benzylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888503
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde (CID 112888374) is 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde is CCN1CCN(c2nccc(N3CCN(C=O)CC3)n2)CC1.
What is the InChIKey of 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The InChIKey is GPNIWBXIDSVDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-18-5-11-21(12-6-18)15-16-4-3-14(17-15)20-9-7-19(13-22)8-10-20/h3-4,13H,2,5-12H2,1H3.
What are the key properties of 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 304.40 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112888374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).