2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide

C14H23N3O6S — CID 15239784

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide
SMILESCOCN(C(=O)C(c1nc(OC)cc(OC)n1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O6S/c1-9(2)12(14(18)17(8-21-3)24(6,19)20)13-15-10(22-4)7-11(16-13)23-5/h7,9,12H,8H2,1-6H3
InChIKeyJQQGTXGGQJXVFD-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.63
Rot. Bonds8

About 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide

2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide (PubChem CID 15239784) has the molecular formula C14H23N3O6S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide
PubChem CID15239784
Molecular FormulaC14H23N3O6S
Molecular Weight361.42 g/mol
Exact Mass361.13
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide
SMILESCOCN(C(=O)C(c1nc(OC)cc(OC)n1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O6S/c1-9(2)12(14(18)17(8-21-3)24(6,19)20)13-15-10(22-4)7-11(16-13)23-5/h7,9,12H,8H2,1-6H3
InChIKeyJQQGTXGGQJXVFD-UHFFFAOYSA-N
XLogP0.63
TPSA107.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide (CID 15239784) is 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide is COCN(C(=O)C(c1nc(OC)cc(OC)n1)C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide?
The InChIKey is JQQGTXGGQJXVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6S/c1-9(2)12(14(18)17(8-21-3)24(6,19)20)13-15-10(22-4)7-11(16-13)23-5/h7,9,12H,8H2,1-6H3.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide?
2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide has a molecular weight of 361.42 g/mol, XLogP of 0.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)-N-(methoxymethyl)-3-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 15239784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).