N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide

C9H15N3O3S — CID 20709867

IUPACN-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide
SMILESCCn1c(C)nc(C)c(NS(C)(=O)=O)c1=O
InChIInChI=1S/C9H15N3O3S/c1-5-12-7(3)10-6(2)8(9(12)13)11-16(4,14)15/h11H,5H2,1-4H3
InChIKeyMLDPJKJJNVJRQC-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.25
Rot. Bonds3

About N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide

N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide (PubChem CID 20709867) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide
PubChem CID20709867
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide
SMILESCCn1c(C)nc(C)c(NS(C)(=O)=O)c1=O
InChIInChI=1S/C9H15N3O3S/c1-5-12-7(3)10-6(2)8(9(12)13)11-16(4,14)15/h11H,5H2,1-4H3
InChIKeyMLDPJKJJNVJRQC-UHFFFAOYSA-N
XLogP0.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(Methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid
CID 20709859
5-Amino-3-ethyl-2,6-dimethylpyrimidin-4-one
CID 22949222

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide?
The IUPAC name of N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide (CID 20709867) is N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide is CCn1c(C)nc(C)c(NS(C)(=O)=O)c1=O.
What is the InChIKey of N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide?
The InChIKey is MLDPJKJJNVJRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-5-12-7(3)10-6(2)8(9(12)13)11-16(4,14)15/h11H,5H2,1-4H3.
What are the key properties of N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide?
N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 20709867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).