4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane

C9H15N3O5S — CID 159487000

IUPAC4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane
SMILESC.COc1cc(OC)nc(C(=O)NS(C)(=O)=O)n1
InChIInChI=1S/C8H11N3O5S.CH4/c1-15-5-4-6(16-2)10-7(9-5)8(12)11-17(3,13)14;/h4H,1-3H3,(H,11,12);1H4
InChIKeyLXRZQRDCRZGKHX-UHFFFAOYSA-N
MW277.30 g/mol
LogP-0.18
Rot. Bonds4

About 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane

4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane (PubChem CID 159487000) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane.

Molecular Properties

Compound Name4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane
PubChem CID159487000
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane
SMILESC.COc1cc(OC)nc(C(=O)NS(C)(=O)=O)n1
InChIInChI=1S/C8H11N3O5S.CH4/c1-15-5-4-6(16-2)10-7(9-5)8(12)11-17(3,13)14;/h4H,1-3H3,(H,11,12);1H4
InChIKeyLXRZQRDCRZGKHX-UHFFFAOYSA-N
XLogP-0.18
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
CID 66767279
(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 708347
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea
CID 13093971
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)-3-oxopropanoate
CID 59864605
2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid
CID 174787510
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
sodium 2-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-5-methylbenzoate
CID 139615019
2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide
CID 19876585
2-[3-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]azetidine-1-carbonyl]benzoic acid
CID 167831076

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane?
The IUPAC name of 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane (CID 159487000) is 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane.
What is the SMILES notation for 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane?
The canonical SMILES for 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane is C.COc1cc(OC)nc(C(=O)NS(C)(=O)=O)n1.
What is the InChIKey of 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane?
The InChIKey is LXRZQRDCRZGKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S.CH4/c1-15-5-4-6(16-2)10-7(9-5)8(12)11-17(3,13)14;/h4H,1-3H3,(H,11,12);1H4.
What are the key properties of 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane?
4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane has a molecular weight of 277.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-methylsulfonylpyrimidine-2-carboxamide;methane is sourced from PubChem (CID 159487000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).