(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C22H23N5O — CID 109310370

IUPAC(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(Nc4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H23N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)21(28)20-10-11-23-22(25-20)24-18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,23,24,25)
InChIKeyGVEUHXUJKJTELU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.49
Rot. Bonds4

About (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109310370) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109310370
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(Nc4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H23N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)21(28)20-10-11-23-22(25-20)24-18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,23,24,25)
InChIKeyGVEUHXUJKJTELU-UHFFFAOYSA-N
XLogP3.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295973
4-(2-anilinopyrimidine-4-carbonyl)piperazine-1-carboxylic acid
CID 174220417
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299212
[2-(3-methoxypropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109300021
[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309545
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310401
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309529
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109310440
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
4-[[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-pyridinyl]amino]benzonitrile
CID 109216036

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109310370) is (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccnc(Nc4ccccc4)n3)CC2)c1.
What is the InChIKey of (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is GVEUHXUJKJTELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)21(28)20-10-11-23-22(25-20)24-18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,23,24,25).
What are the key properties of (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109310370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).