N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

C20H23N5O2S — CID 71234764

IUPACN-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1ncnc(-c2ccc(CN)cc2)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C20H23N5O2S/c1-4-17-19(16-9-18(13(2)22-11-16)25-28(3,26)27)20(24-12-23-17)15-7-5-14(10-21)6-8-15/h5-9,11-12,25H,4,10,21H2,1-3H3
InChIKeyJPQJMYIPHVBRBM-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.91
Rot. Bonds6

About N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (PubChem CID 71234764) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
PubChem CID71234764
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1ncnc(-c2ccc(CN)cc2)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C20H23N5O2S/c1-4-17-19(16-9-18(13(2)22-11-16)25-28(3,26)27)20(24-12-23-17)15-7-5-14(10-21)6-8-15/h5-9,11-12,25H,4,10,21H2,1-3H3
InChIKeyJPQJMYIPHVBRBM-UHFFFAOYSA-N
XLogP2.91
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71234666
N-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 88919509
N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71229139
N-[5-[2-[4-[6-(aminomethyl)-3-pyridinyl]-6-ethylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71225522
4-ethyl-5-[2-[6-methyl-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethynyl]-6-phenylpyrimidin-2-amine
CID 161281784
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564
N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 71813142
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71228980
N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide
CID 11617489
N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
CID 68726786
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (CID 71234764) is N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is CCc1ncnc(-c2ccc(CN)cc2)c1-c1cnc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The InChIKey is JPQJMYIPHVBRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-4-17-19(16-9-18(13(2)22-11-16)25-28(3,26)27)20(24-12-23-17)15-7-5-14(10-21)6-8-15/h5-9,11-12,25H,4,10,21H2,1-3H3.
What are the key properties of N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 71234764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).