4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide

C22H24N6O — CID 22585325

IUPAC4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C22H24N6O/c1-17-16-20(24-18-8-4-2-5-9-18)26-21(23-17)27-12-14-28(15-13-27)22(29)25-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,25,29)(H,23,24,26)
InChIKeyHDKBXGLOGVHBKW-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.88
Rot. Bonds4

About 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide

4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 22585325) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID22585325
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C22H24N6O/c1-17-16-20(24-18-8-4-2-5-9-18)26-21(23-17)27-12-14-28(15-13-27)22(29)25-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,25,29)(H,23,24,26)
InChIKeyHDKBXGLOGVHBKW-UHFFFAOYSA-N
XLogP3.88
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carboxamide
CID 22585337
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 27477450
(E)-1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 121031758
1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031763
1-[4-[4-methyl-6-(3-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915025
N-[4-[[2-(4-formylpiperazin-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112914764
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 121031770
(2S)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 41129335
1-[4-[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915036
1-[4-[4-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915082
1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 27505671

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide (CID 22585325) is 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide is Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is HDKBXGLOGVHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17-16-20(24-18-8-4-2-5-9-18)26-21(23-17)27-12-14-28(15-13-27)22(29)25-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,25,29)(H,23,24,26).
What are the key properties of 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide?
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 22585325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).