[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

C22H23N5O — CID 109261118

IUPAC[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN(c1ccccc1)c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C22H23N5O/c1-25(19-8-4-2-5-9-19)22-23-16-18(17-24-22)21(28)27-14-12-26(13-15-27)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeyUPSCKYVPKAYPKR-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.21
Rot. Bonds4

About [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109261118) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109261118
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN(c1ccccc1)c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C22H23N5O/c1-25(19-8-4-2-5-9-19)22-23-16-18(17-24-22)21(28)27-14-12-26(13-15-27)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeyUPSCKYVPKAYPKR-UHFFFAOYSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-methylanilino)pyrimidin-5-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

[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
CID 109262099
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
CID 109193488
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109261118) is [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is CN(c1ccccc1)c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is UPSCKYVPKAYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-25(19-8-4-2-5-9-19)22-23-16-18(17-24-22)21(28)27-14-12-26(13-15-27)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109261118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).