N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide

C14H18N4O3S — CID 100669152

IUPACN-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide
SMILESCc1cc(Oc2ccc(NS(C)(=O)=O)nc2)nc(C(C)C)n1
InChIInChI=1S/C14H18N4O3S/c1-9(2)14-16-10(3)7-13(17-14)21-11-5-6-12(15-8-11)18-22(4,19)20/h5-9H,1-4H3,(H,15,18)
InChIKeyCLLGIJHLYUABIM-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.47
Rot. Bonds5

About N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide

N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide (PubChem CID 100669152) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide
PubChem CID100669152
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide
SMILESCc1cc(Oc2ccc(NS(C)(=O)=O)nc2)nc(C(C)C)n1
InChIInChI=1S/C14H18N4O3S/c1-9(2)14-16-10(3)7-13(17-14)21-11-5-6-12(15-8-11)18-22(4,19)20/h5-9H,1-4H3,(H,15,18)
InChIKeyCLLGIJHLYUABIM-UHFFFAOYSA-N
XLogP2.47
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide (CID 100669152) is N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide is Cc1cc(Oc2ccc(NS(C)(=O)=O)nc2)nc(C(C)C)n1.
What is the InChIKey of N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide?
The InChIKey is CLLGIJHLYUABIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(2)14-16-10(3)7-13(17-14)21-11-5-6-12(15-8-11)18-22(4,19)20/h5-9H,1-4H3,(H,15,18).
What are the key properties of N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide?
N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 100669152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).