4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde

C19H23N5O2 — CID 109326479

IUPAC4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCc1cc(C(=O)N2CCN(C=O)CC2)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H23N5O2/c1-13-5-4-6-16(15(13)3)21-19-20-14(2)11-17(22-19)18(26)24-9-7-23(12-25)8-10-24/h4-6,11-12H,7-10H2,1-3H3,(H,20,21,22)
InChIKeyUGJWIPQRUHBRSD-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.06
Rot. Bonds4

About 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109326479) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109326479
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCc1cc(C(=O)N2CCN(C=O)CC2)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H23N5O2/c1-13-5-4-6-16(15(13)3)21-19-20-14(2)11-17(22-19)18(26)24-9-7-23(12-25)8-10-24/h4-6,11-12H,7-10H2,1-3H3,(H,20,21,22)
InChIKeyUGJWIPQRUHBRSD-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

[2-(2,3-dimethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325929
4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326475
4-[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326469
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
4-[2-(2,3-dimethylanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254373
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-phenylpiperazin-1-yl)methanone
CID 109331558
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109332196
4-[6-(3-chloro-2-methylanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367651
4-[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109321194
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde (CID 109326479) is 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde is Cc1cc(C(=O)N2CCN(C=O)CC2)nc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is UGJWIPQRUHBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-5-4-6-16(15(13)3)21-19-20-14(2)11-17(22-19)18(26)24-9-7-23(12-25)8-10-24/h4-6,11-12H,7-10H2,1-3H3,(H,20,21,22).
What are the key properties of 4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-(2,3-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-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109326479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).