5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine

C17H15N3O3S — CID 13413417

IUPAC5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine
SMILESCOc1nc(N)c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O3S/c1-23-17-19-14(12-8-4-2-5-9-12)15(16(18)20-17)24(21,22)13-10-6-3-7-11-13/h2-11H,1H3,(H2,18,19,20)
InChIKeyUWOWMIZNNRCANT-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.57
Rot. Bonds4

About 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine

5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine (PubChem CID 13413417) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine
PubChem CID13413417
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine
SMILESCOc1nc(N)c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O3S/c1-23-17-19-14(12-8-4-2-5-9-12)15(16(18)20-17)24(21,22)13-10-6-3-7-11-13/h2-11H,1H3,(H2,18,19,20)
InChIKeyUWOWMIZNNRCANT-UHFFFAOYSA-N
XLogP2.57
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4,6-diphenylpyrimidin-5-amine
CID 624065
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277
6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile
CID 13295738
4-(benzenesulfonyl)-3-phenyl-1,2-oxazol-5-amine
CID 13449569
2,4-diamino-6-phenylpyrimidine-5-sulfonamide
CID 69298696
6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 13295735
5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 15987565
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
7-amino-2-methoxy-4-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 10683923
5-(benzenesulfonyl)-4-N-phenylpyrimidine-2,4,6-triamine
CID 15987551
2-methoxy-6-phenylpyrimidin-4-amine
CID 83848071
2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine
CID 10828998

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine (CID 13413417) is 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine is COc1nc(N)c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine?
The InChIKey is UWOWMIZNNRCANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-17-19-14(12-8-4-2-5-9-12)15(16(18)20-17)24(21,22)13-10-6-3-7-11-13/h2-11H,1H3,(H2,18,19,20).
What are the key properties of 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine?
5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 13413417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).