N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide

C9H16N4O3S — CID 50976367

IUPACN-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide
SMILESCOc1cc(NCCN(C)S(C)(=O)=O)ncn1
InChIInChI=1S/C9H16N4O3S/c1-13(17(3,14)15)5-4-10-8-6-9(16-2)12-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyLCJXLRBKKSNRDD-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.21
Rot. Bonds6

About N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide

N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide (PubChem CID 50976367) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide
PubChem CID50976367
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide
SMILESCOc1cc(NCCN(C)S(C)(=O)=O)ncn1
InChIInChI=1S/C9H16N4O3S/c1-13(17(3,14)15)5-4-10-8-6-9(16-2)12-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyLCJXLRBKKSNRDD-UHFFFAOYSA-N
XLogP-0.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide (CID 50976367) is N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide is COc1cc(NCCN(C)S(C)(=O)=O)ncn1.
What is the InChIKey of N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is LCJXLRBKKSNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-13(17(3,14)15)5-4-10-8-6-9(16-2)12-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide?
N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 50976367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).