[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone

C22H29N5O — CID 50946262

IUPAC[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C22H29N5O/c1-17-16-20(25-22(23-17)24-19-10-6-3-7-11-19)26-12-14-27(15-13-26)21(28)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,23,24,25)
InChIKeyCRFGRPIVUBVKQZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.49
Rot. Bonds4

About [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone

[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 50946262) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
PubChem CID50946262
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C22H29N5O/c1-17-16-20(25-22(23-17)24-19-10-6-3-7-11-19)26-12-14-27(15-13-26)21(28)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,23,24,25)
InChIKeyCRFGRPIVUBVKQZ-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 ≤ 500379.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 121090271
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122348210
[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
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122348233
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
CID 50945908
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 121090227
(5-chloro-2-methoxyphenyl)-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 121090268
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]-phenylmethanone?
The IUPAC name of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone (CID 50946262) is [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone is Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(NC2CCCCC2)n1.
What is the InChIKey of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is CRFGRPIVUBVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-16-20(25-22(23-17)24-19-10-6-3-7-11-19)26-12-14-27(15-13-26)21(28)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,23,24,25).
What are the key properties of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone?
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 379.51 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 [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 50946262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).