N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine

C18H17N3O2S — CID 22433035

IUPACN-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(Sc3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C18H17N3O2S/c1-22-14-5-3-13(4-6-14)21-17-11-18(20-12-19-17)24-16-9-7-15(23-2)8-10-16/h3-12H,1-2H3,(H,19,20,21)
InChIKeyNCUNMODUTMUUSV-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.39
Rot. Bonds6

About N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine

N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine (PubChem CID 22433035) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine
PubChem CID22433035
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(Sc3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C18H17N3O2S/c1-22-14-5-3-13(4-6-14)21-17-11-18(20-12-19-17)24-16-9-7-15(23-2)8-10-16/h3-12H,1-2H3,(H,19,20,21)
InChIKeyNCUNMODUTMUUSV-UHFFFAOYSA-N
XLogP4.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine (CID 22433035) is N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine is COc1ccc(Nc2cc(Sc3ccc(OC)cc3)ncn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is NCUNMODUTMUUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-22-14-5-3-13(4-6-14)21-17-11-18(20-12-19-17)24-16-9-7-15(23-2)8-10-16/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine?
N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 22433035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).