4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde

C19H23N5O2 — CID 109326475

IUPAC4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCc1ccc(C)c(Nc2nc(C)cc(C(=O)N3CCN(C=O)CC3)n2)c1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-14(2)16(10-13)21-19-20-15(3)11-17(22-19)18(26)24-8-6-23(12-25)7-9-24/h4-5,10-12H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyLPPUFHHTTQHKQG-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.06
Rot. Bonds4

About 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109326475) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109326475
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCc1ccc(C)c(Nc2nc(C)cc(C(=O)N3CCN(C=O)CC3)n2)c1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-14(2)16(10-13)21-19-20-15(3)11-17(22-19)18(26)24-8-6-23(12-25)7-9-24/h4-5,10-12H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyLPPUFHHTTQHKQG-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.06
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

azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326479
4-[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326469
N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326521
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326739
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331558
4-[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109321194
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109332196
N-tert-butyl-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332746
[2-(2,3-dimethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325929
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302591

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde (CID 109326475) is 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde is Cc1ccc(C)c(Nc2nc(C)cc(C(=O)N3CCN(C=O)CC3)n2)c1.
What is the InChIKey of 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is LPPUFHHTTQHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-4-5-14(2)16(10-13)21-19-20-15(3)11-17(22-19)18(26)24-8-6-23(12-25)7-9-24/h4-5,10-12H,6-9H2,1-3H3,(H,20,21,22).
What are the key properties of 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 353.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109326475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).