4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde

C21H27N5O2 — CID 112853871

IUPAC4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCCCCN(C)c1cc(C(=O)N2CCN(C=O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H27N5O2/c1-3-4-10-24(2)19-15-18(21(28)26-13-11-25(16-27)12-14-26)22-20(23-19)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3
InChIKeySRRGDPGURUDAMD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.29
Rot. Bonds7

About 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde

4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 112853871) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID112853871
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCCCCN(C)c1cc(C(=O)N2CCN(C=O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H27N5O2/c1-3-4-10-24(2)19-15-18(21(28)26-13-11-25(16-27)12-14-26)22-20(23-19)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3
InChIKeySRRGDPGURUDAMD-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112853886
4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254354
[6-[butyl(methyl)amino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365564
6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854397
[6-(butylamino)-2-phenylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 112852230
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
CID 59340739
N-butyl-3-(4-formylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109064399
(4-benzylpiperazin-1-yl)-[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109331519
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981
4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116999
ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123862
[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109352986

Frequently Asked Questions

What is the IUPAC name of 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde (CID 112853871) is 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde is CCCCN(C)c1cc(C(=O)N2CCN(C=O)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is SRRGDPGURUDAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-4-10-24(2)19-15-18(21(28)26-13-11-25(16-27)12-14-26)22-20(23-19)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3.
What are the key properties of 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 381.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112853871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).