[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

C22H23N5O — CID 117085240

IUPAC[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3nccc(Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H23N5O/c1-26-13-15-27(16-14-26)22(28)18-9-7-17(8-10-18)21-23-12-11-20(25-21)24-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,23,24,25)
InChIKeyYPURSPRMBNTNOL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.27
Rot. Bonds4

About [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 117085240) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID117085240
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3nccc(Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H23N5O/c1-26-13-15-27(16-14-26)22(28)18-9-7-17(8-10-18)21-23-12-11-20(25-21)24-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,23,24,25)
InChIKeyYPURSPRMBNTNOL-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(2-hydroxyethylamino)pyrimidin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117094568
acetaldehyde;1-[4-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]-3-phenylurea
CID 142946245
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134796845
[3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 20934164
[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 46331145
[4-[[4-(3-chloro-4-phosphanylanilino)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 145468385
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
[2-(3-bromoanilino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109168528
1-[3-(4-anilinopyrimidin-2-yl)phenyl]ethanone
CID 117089370
(4-methylpiperazin-1-yl)-[4-[[4-(1-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 91258060
[4-[(2-chloro-6-methylpyrimidin-4-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 108776754
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499

Frequently Asked Questions

What is the IUPAC name of [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 117085240) is [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3nccc(Nc4ccccc4)n3)cc2)CC1.
What is the InChIKey of [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YPURSPRMBNTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26-13-15-27(16-14-26)22(28)18-9-7-17(8-10-18)21-23-12-11-20(25-21)24-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,23,24,25).
What are the key properties of [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 117085240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).