N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

C19H28N6O3S — CID 71229139

IUPACN-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1nc(N)nc(N2CCC(C)(O)CC2)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H28N6O3S/c1-5-14-16(13-10-15(12(2)21-11-13)24-29(4,27)28)17(23-18(20)22-14)25-8-6-19(3,26)7-9-25/h10-11,24,26H,5-9H2,1-4H3,(H2,20,22,23)
InChIKeyAIOHHSFBGINWBV-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.71
Rot. Bonds5

About N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (PubChem CID 71229139) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
PubChem CID71229139
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC NameN-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1nc(N)nc(N2CCC(C)(O)CC2)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H28N6O3S/c1-5-14-16(13-10-15(12(2)21-11-13)24-29(4,27)28)17(23-18(20)22-14)25-8-6-19(3,26)7-9-25/h10-11,24,26H,5-9H2,1-4H3,(H2,20,22,23)
InChIKeyAIOHHSFBGINWBV-UHFFFAOYSA-N
XLogP1.71
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (CID 71229139) is N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is CCc1nc(N)nc(N2CCC(C)(O)CC2)c1-c1cnc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The InChIKey is AIOHHSFBGINWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-5-14-16(13-10-15(12(2)21-11-13)24-29(4,27)28)17(23-18(20)22-14)25-8-6-19(3,26)7-9-25/h10-11,24,26H,5-9H2,1-4H3,(H2,20,22,23).
What are the key properties of N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 71229139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).