N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine

C19H32N6O2S — CID 122348324

IUPACN-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C19H32N6O2S/c1-16-15-18(22-19(20-16)21-17-7-3-2-4-8-17)23-11-13-25(14-12-23)28(26,27)24-9-5-6-10-24/h15,17H,2-14H2,1H3,(H,20,21,22)
InChIKeyLRSGXKZIIGTAEX-UHFFFAOYSA-N
MW408.57 g/mol
LogP1.99
Rot. Bonds5

About N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine

N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 122348324) has the molecular formula C19H32N6O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID122348324
Molecular FormulaC19H32N6O2S
Molecular Weight408.57 g/mol
Exact Mass408.23
IUPAC NameN-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C19H32N6O2S/c1-16-15-18(22-19(20-16)21-17-7-3-2-4-8-17)23-11-13-25(14-12-23)28(26,27)24-9-5-6-10-24/h15,17H,2-14H2,1H3,(H,20,21,22)
InChIKeyLRSGXKZIIGTAEX-UHFFFAOYSA-N
XLogP1.99
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.99
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-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
CID 53049012
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
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]-(3,5-dimethylphenyl)methanone
CID 121090271
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122348233
1-[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194079
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47001646

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine (CID 122348324) is N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)nc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is LRSGXKZIIGTAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2S/c1-16-15-18(22-19(20-16)21-17-7-3-2-4-8-17)23-11-13-25(14-12-23)28(26,27)24-9-5-6-10-24/h15,17H,2-14H2,1H3,(H,20,21,22).
What are the key properties of N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 408.57 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 122348324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).