4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde

C17H22N8O — CID 112858250

IUPAC4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1
InChIInChI=1S/C17H22N8O/c26-14-22-4-6-23(7-5-22)15-12-16(21-13-20-15)24-8-10-25(11-9-24)17-18-2-1-3-19-17/h1-3,12-14H,4-11H2
InChIKeyLUTXAAXFOUVCTD-UHFFFAOYSA-N
MW354.42 g/mol
LogP-0.13
Rot. Bonds4

About 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde

4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde (PubChem CID 112858250) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
PubChem CID112858250
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1
InChIInChI=1S/C17H22N8O/c26-14-22-4-6-23(7-5-22)15-12-16(21-13-20-15)24-8-10-25(11-9-24)17-18-2-1-3-19-17/h1-3,12-14H,4-11H2
InChIKeyLUTXAAXFOUVCTD-UHFFFAOYSA-N
XLogP-0.13
TPSA81.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 171070118
4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858244
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278769
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858251
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde (CID 112858250) is 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1.
What is the InChIKey of 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The InChIKey is LUTXAAXFOUVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c26-14-22-4-6-23(7-5-22)15-12-16(21-13-20-15)24-8-10-25(11-9-24)17-18-2-1-3-19-17/h1-3,12-14H,4-11H2.
What are the key properties of 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde?
4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 354.42 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112858250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).