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

C13H21N5O — CID 112858251

IUPAC4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESCCN(CC)c1cc(N2CCN(C=O)CC2)ncn1
InChIInChI=1S/C13H21N5O/c1-3-17(4-2)12-9-13(15-10-14-12)18-7-5-16(11-19)6-8-18/h9-11H,3-8H2,1-2H3
InChIKeyHJMSISIFJSCIIH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds5

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

4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde (PubChem CID 112858251) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
PubChem CID112858251
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESCCN(CC)c1cc(N2CCN(C=O)CC2)ncn1
InChIInChI=1S/C13H21N5O/c1-3-17(4-2)12-9-13(15-10-14-12)18-7-5-16(11-19)6-8-18/h9-11H,3-8H2,1-2H3
InChIKeyHJMSISIFJSCIIH-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858250
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine
CID 86318094
4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112856656

Frequently Asked Questions

What is the IUPAC name of 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde (CID 112858251) is 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde is CCN(CC)c1cc(N2CCN(C=O)CC2)ncn1.
What is the InChIKey of 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The InChIKey is HJMSISIFJSCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-17(4-2)12-9-13(15-10-14-12)18-7-5-16(11-19)6-8-18/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112858251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).