[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone

C22H29N5O — CID 27477450

IUPAC[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-17-16-20(24-19-10-6-3-7-11-19)25-22(23-17)27-14-12-26(13-15-27)21(28)18-8-4-2-5-9-18/h3,6-7,10-11,16,18H,2,4-5,8-9,12-15H2,1H3,(H,23,24,25)
InChIKeyQZJFRCDXBTVLQL-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.76
Rot. Bonds4

About [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone

[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 27477450) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID27477450
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-17-16-20(24-19-10-6-3-7-11-19)25-22(23-17)27-14-12-26(13-15-27)21(28)18-8-4-2-5-9-18/h3,6-7,10-11,16,18H,2,4-5,8-9,12-15H2,1H3,(H,23,24,25)
InChIKeyQZJFRCDXBTVLQL-UHFFFAOYSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone with MolForge

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Related Compounds

cyclohexyl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477448
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 22585325
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
(E)-1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 121031758
[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 72920814
1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031763
1-[4-[4-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915082
1-[4-[4-methyl-6-(3-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915025
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
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
5-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121032103

Frequently Asked Questions

What is the IUPAC name of [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone (CID 27477450) is [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone is Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is QZJFRCDXBTVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-16-20(24-19-10-6-3-7-11-19)25-22(23-17)27-14-12-26(13-15-27)21(28)18-8-4-2-5-9-18/h3,6-7,10-11,16,18H,2,4-5,8-9,12-15H2,1H3,(H,23,24,25).
What are the key properties of [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone?
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 379.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 27477450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).