[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109372642

IUPAC[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H25N5O/c1-17-8-10-19(11-9-17)26-22-16-21(24-18(2)25-22)23(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyLTYTXNXXIQVTQF-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.80
Rot. Bonds4

About [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109372642) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109372642
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H25N5O/c1-17-8-10-19(11-9-17)26-22-16-21(24-18(2)25-22)23(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyLTYTXNXXIQVTQF-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone 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

[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109362356
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
CID 82293663
ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
CID 109373077
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50748493
1-[4-[2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367873
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367110
[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109123155
[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367079
[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348603

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109372642) is [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)nc(C)n2)cc1.
What is the InChIKey of [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is LTYTXNXXIQVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-8-10-19(11-9-17)26-22-16-21(24-18(2)25-22)23(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26).
What are the key properties of [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109372642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).