4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde

C13H19N5O2 — CID 112857021

IUPAC4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C13H19N5O2/c19-11-16-1-3-17(4-2-16)12-9-13(15-10-14-12)18-5-7-20-8-6-18/h9-11H,1-8H2
InChIKeyJXJCRJFYGPVQOL-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.41
Rot. Bonds3

About 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde

4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde (PubChem CID 112857021) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
PubChem CID112857021
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C13H19N5O2/c19-11-16-1-3-17(4-2-16)12-9-13(15-10-14-12)18-5-7-20-8-6-18/h9-11H,1-8H2
InChIKeyJXJCRJFYGPVQOL-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.41
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

4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858250
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858244
4-[6-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883208
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858251
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
4-[6-(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112854888
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-[6-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345734
4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154838178

Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde (CID 112857021) is 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde?
The InChIKey is JXJCRJFYGPVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-11-16-1-3-17(4-2-16)12-9-13(15-10-14-12)18-5-7-20-8-6-18/h9-11H,1-8H2.
What are the key properties of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde?
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde has a molecular weight of 277.33 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 112857021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).