N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide

C10H18N4O3S — CID 106337569

IUPACN-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCCOc1cc(NCCS(=O)(=O)NC)ncn1
InChIInChI=1S/C10H18N4O3S/c1-3-5-17-10-7-9(13-8-14-10)12-4-6-18(15,16)11-2/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyVMGDVPUWIWTCPJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.23
Rot. Bonds8

About N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide

N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 106337569) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID106337569
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCCOc1cc(NCCS(=O)(=O)NC)ncn1
InChIInChI=1S/C10H18N4O3S/c1-3-5-17-10-7-9(13-8-14-10)12-4-6-18(15,16)11-2/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyVMGDVPUWIWTCPJ-UHFFFAOYSA-N
XLogP0.23
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577491
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577492
N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-6-methoxypyrimidin-4-amine
CID 50966846
N-[1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 50975932
N-(1,1-dioxidotetrahydro-3-thienyl)-6-methoxypyrimidin-4-amine
CID 50983657
6-(2-methylsulfanylethoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434025
6-(3-methoxypropoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434840
6-ethoxy-N-(piperidin-4-yl)pyrimidin-4-amine
CID 66319018
2-Methyl-4-propoxy-6-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 42474093
N-{2-[(6-methoxypyrimidin-4-yl)amino]ethyl}-N-methylmethanesulfonamide
CID 50976367

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide (CID 106337569) is N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide is CCCOc1cc(NCCS(=O)(=O)NC)ncn1.
What is the InChIKey of N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is VMGDVPUWIWTCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-5-17-10-7-9(13-8-14-10)12-4-6-18(15,16)11-2/h7-8,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide?
N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106337569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).