4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde

C22H23N5O — CID 112936607

IUPAC4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O/c28-17-26-11-13-27(14-12-26)22-24-20(19-9-5-2-6-10-19)15-21(25-22)23-16-18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2,(H,23,24,25)
InChIKeyFZOPUKBRQJVNKQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.03
Rot. Bonds6

About 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde

4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde (PubChem CID 112936607) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
PubChem CID112936607
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O/c28-17-26-11-13-27(14-12-26)22-24-20(19-9-5-2-6-10-19)15-21(25-22)23-16-18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2,(H,23,24,25)
InChIKeyFZOPUKBRQJVNKQ-UHFFFAOYSA-N
XLogP3.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-phenyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936616
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936647
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
4-[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914652
4-[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914660
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
4-[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936248
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde (CID 112936607) is 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
The InChIKey is FZOPUKBRQJVNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-17-26-11-13-27(14-12-26)22-24-20(19-9-5-2-6-10-19)15-21(25-22)23-16-18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2,(H,23,24,25).
What are the key properties of 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 373.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112936607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).