N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide

C19H28N6O2S — CID 71228980

IUPACN-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1nc(N)nc(N2CCCCC2)c1Cc1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H28N6O2S/c1-4-16-15(18(23-19(20)22-16)25-8-6-5-7-9-25)10-14-11-17(13(2)21-12-14)24-28(3,26)27/h11-12,24H,4-10H2,1-3H3,(H2,20,22,23)
InChIKeyNOGFTUSCDZEPLK-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.28
Rot. Bonds6

About N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide

N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide (PubChem CID 71228980) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide
PubChem CID71228980
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC NameN-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1nc(N)nc(N2CCCCC2)c1Cc1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H28N6O2S/c1-4-16-15(18(23-19(20)22-16)25-8-6-5-7-9-25)10-14-11-17(13(2)21-12-14)24-28(3,26)27/h11-12,24H,4-10H2,1-3H3,(H2,20,22,23)
InChIKeyNOGFTUSCDZEPLK-UHFFFAOYSA-N
XLogP2.28
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71229139
5-ethyl-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 879100
4-ethyl-5-[2-[6-methyl-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethynyl]-6-phenylpyrimidin-2-amine
CID 161281784
2,3,4,5-tetraethyl-6-pyrrolidin-1-ylpyridine
CID 54763773
N-[1-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 137339870
cyclopentyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1029658
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
4,5-dimethyl-6-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 72840000
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71234666
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
CID 1027747

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide (CID 71228980) is N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide is CCc1nc(N)nc(N2CCCCC2)c1Cc1cnc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide?
The InChIKey is NOGFTUSCDZEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-4-16-15(18(23-19(20)22-16)25-8-6-5-7-9-25)10-14-11-17(13(2)21-12-14)24-28(3,26)27/h11-12,24H,4-10H2,1-3H3,(H2,20,22,23).
What are the key properties of N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide?
N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide has a molecular weight of 404.54 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-4-ethyl-6-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 71228980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).