N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine

C21H27F2N5O2S — CID 53049012

IUPACN-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C21H27F2N5O2S/c1-15-13-20(26-21(24-15)25-17-5-3-2-4-6-17)27-9-11-28(12-10-27)31(29,30)19-8-7-16(22)14-18(19)23/h7-8,13-14,17H,2-6,9-12H2,1H3,(H,24,25,26)
InChIKeyLRZVKTGCTRTBQX-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.32
Rot. Bonds5

About N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine

N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 53049012) has the molecular formula C21H27F2N5O2S and a molecular weight of 451.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID53049012
Molecular FormulaC21H27F2N5O2S
Molecular Weight451.54 g/mol
Exact Mass451.19
IUPAC NameN-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C21H27F2N5O2S/c1-15-13-20(26-21(24-15)25-17-5-3-2-4-6-17)27-9-11-28(12-10-27)31(29,30)19-8-7-16(22)14-18(19)23/h7-8,13-14,17H,2-6,9-12H2,1H3,(H,24,25,26)
InChIKeyLRZVKTGCTRTBQX-UHFFFAOYSA-N
XLogP3.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
CID 50945908
N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 122348324
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
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
2,4-difluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 121032487
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine (CID 53049012) is N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is LRZVKTGCTRTBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N5O2S/c1-15-13-20(26-21(24-15)25-17-5-3-2-4-6-17)27-9-11-28(12-10-27)31(29,30)19-8-7-16(22)14-18(19)23/h7-8,13-14,17H,2-6,9-12H2,1H3,(H,24,25,26).
What are the key properties of N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine?
N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 451.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 53049012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).