4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine

C15H17ClN2O4S — CID 158077460

IUPAC4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine
SMILESCOc1ccc(OC)c(Cc2cc(Cl)nc(CS(C)(=O)=O)n2)c1
InChIInChI=1S/C15H17ClN2O4S/c1-21-12-4-5-13(22-2)10(7-12)6-11-8-14(16)18-15(17-11)9-23(3,19)20/h4-5,7-8H,6,9H2,1-3H3
InChIKeyGUQLPGLZYIXUPH-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.28
Rot. Bonds6

About 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine

4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine (PubChem CID 158077460) has the molecular formula C15H17ClN2O4S and a molecular weight of 356.83 g/mol. Its IUPAC name is 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine
PubChem CID158077460
Molecular FormulaC15H17ClN2O4S
Molecular Weight356.83 g/mol
Exact Mass356.06
IUPAC Name4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine
SMILESCOc1ccc(OC)c(Cc2cc(Cl)nc(CS(C)(=O)=O)n2)c1
InChIInChI=1S/C15H17ClN2O4S/c1-21-12-4-5-13(22-2)10(7-12)6-11-8-14(16)18-15(17-11)9-23(3,19)20/h4-5,7-8H,6,9H2,1-3H3
InChIKeyGUQLPGLZYIXUPH-UHFFFAOYSA-N
XLogP2.28
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane
CID 90981417
4-tert-butyl-1-methoxy-2-(methylsulfonylmethyl)benzene
CID 160796966
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
CID 165442745
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
4-methoxy-2-(methylsulfonylmethyl)pyridine
CID 130621299
1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 112688271
(4-chlorophenyl) 2,5-dimethoxybenzenesulfonate
CID 26946259
1,4-dimethoxy-2-(nitrosomethyl)benzene
CID 143996904
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
CID 116926180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine (CID 158077460) is 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine is COc1ccc(OC)c(Cc2cc(Cl)nc(CS(C)(=O)=O)n2)c1.
What is the InChIKey of 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine?
The InChIKey is GUQLPGLZYIXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S/c1-21-12-4-5-13(22-2)10(7-12)6-11-8-14(16)18-15(17-11)9-23(3,19)20/h4-5,7-8H,6,9H2,1-3H3.
What are the key properties of 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine?
4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine has a molecular weight of 356.83 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 158077460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).