N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine

C22H25N5O2S — CID 110262789

IUPACN-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(Nc2nc(C)cc(C)n2)cc(C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H25N5O2S/c1-15-12-16(2)25-22(24-15)26-18-13-17(3)23-20(14-18)21-10-7-11-27(21)30(28,29)19-8-5-4-6-9-19/h4-6,8-9,12-14,21H,7,10-11H2,1-3H3,(H,23,24,25,26)
InChIKeyLHHMJBBFVMQICA-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.07
Rot. Bonds5

About N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine

N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 110262789) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID110262789
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(Nc2nc(C)cc(C)n2)cc(C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H25N5O2S/c1-15-12-16(2)25-22(24-15)26-18-13-17(3)23-20(14-18)21-10-7-11-27(21)30(28,29)19-8-5-4-6-9-19/h4-6,8-9,12-14,21H,7,10-11H2,1-3H3,(H,23,24,25,26)
InChIKeyLHHMJBBFVMQICA-UHFFFAOYSA-N
XLogP4.07
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110113647
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
CID 110091079
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836219
7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine
CID 110118141
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893941
1-[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 95832698
4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835808
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893943
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893944
1-[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95832778

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine (CID 110262789) is N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(Nc2nc(C)cc(C)n2)cc(C2CCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is LHHMJBBFVMQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-15-12-16(2)25-22(24-15)26-18-13-17(3)23-20(14-18)21-10-7-11-27(21)30(28,29)19-8-5-4-6-9-19/h4-6,8-9,12-14,21H,7,10-11H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 423.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110262789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).