[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone

C24H33N5O — CID 121090271

IUPAC[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)c1
InChIInChI=1S/C24H33N5O/c1-17-13-18(2)15-20(14-17)23(30)29-11-9-28(10-12-29)22-16-19(3)25-24(27-22)26-21-7-5-4-6-8-21/h13-16,21H,4-12H2,1-3H3,(H,25,26,27)
InChIKeySTYGSWCPWSDFOY-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.11
Rot. Bonds4

About [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone

[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 121090271) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
PubChem CID121090271
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)c1
InChIInChI=1S/C24H33N5O/c1-17-13-18(2)15-20(14-17)23(30)29-11-9-28(10-12-29)22-16-19(3)25-24(27-22)26-21-7-5-4-6-8-21/h13-16,21H,4-12H2,1-3H3,(H,25,26,27)
InChIKeySTYGSWCPWSDFOY-UHFFFAOYSA-N
XLogP4.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 122348235
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 121090230
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122348233
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 121090227
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122348210
(3,5-dimethylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 18566524
(5-chloro-2-methoxyphenyl)-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 121090268
N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 122348324
4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47001646
2-(4-chlorophenyl)-1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121090269

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone (CID 121090271) is [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)c1.
What is the InChIKey of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is STYGSWCPWSDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-17-13-18(2)15-20(14-17)23(30)29-11-9-28(10-12-29)22-16-19(3)25-24(27-22)26-21-7-5-4-6-8-21/h13-16,21H,4-12H2,1-3H3,(H,25,26,27).
What are the key properties of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 407.56 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 121090271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).