4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde

C19H23N5O2 — CID 112935367

IUPAC4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H23N5O2/c25-15-22-6-8-24(9-7-22)19-20-17(16-4-2-1-3-5-16)14-18(21-19)23-10-12-26-13-11-23/h1-5,14-15H,6-13H2
InChIKeyRIBNWLXWQCDRGO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.26
Rot. Bonds4

About 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde

4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde (PubChem CID 112935367) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
PubChem CID112935367
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H23N5O2/c25-15-22-6-8-24(9-7-22)19-20-17(16-4-2-1-3-5-16)14-18(21-19)23-10-12-26-13-11-23/h1-5,14-15H,6-13H2
InChIKeyRIBNWLXWQCDRGO-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.26
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-[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936248
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936636
4-[6-(4-formylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881060
4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936607
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 112934085
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936647
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde (CID 112935367) is 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is RIBNWLXWQCDRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-15-22-6-8-24(9-7-22)19-20-17(16-4-2-1-3-5-16)14-18(21-19)23-10-12-26-13-11-23/h1-5,14-15H,6-13H2.
What are the key properties of 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde?
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 353.43 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 112935367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).