N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine

C15H14N4O2S — CID 164619870

IUPACN-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc3ncccc23)nc(S(C)(=O)=O)n1
InChIInChI=1S/C15H14N4O2S/c1-16-14-9-13(18-15(19-14)22(2,20)21)11-5-3-7-12-10(11)6-4-8-17-12/h3-9H,1-2H3,(H,16,18,19)
InChIKeyFWZQHZJLKOODJC-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.14
Rot. Bonds3

About N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine

N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine (PubChem CID 164619870) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine
PubChem CID164619870
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc3ncccc23)nc(S(C)(=O)=O)n1
InChIInChI=1S/C15H14N4O2S/c1-16-14-9-13(18-15(19-14)22(2,20)21)11-5-3-7-12-10(11)6-4-8-17-12/h3-9H,1-2H3,(H,16,18,19)
InChIKeyFWZQHZJLKOODJC-UHFFFAOYSA-N
XLogP2.14
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine (CID 164619870) is N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine is CNc1cc(-c2cccc3ncccc23)nc(S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine?
The InChIKey is FWZQHZJLKOODJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-16-14-9-13(18-15(19-14)22(2,20)21)11-5-3-7-12-10(11)6-4-8-17-12/h3-9H,1-2H3,(H,16,18,19).
What are the key properties of N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine?
N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine has a molecular weight of 314.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-6-quinolin-5-ylpyrimidin-4-amine is sourced from PubChem (CID 164619870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).