5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine

C17H15N3O2S — CID 1470741

IUPAC5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccccc1Sc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C17H15N3O2S/c1-21-13-8-3-4-9-15(13)23-17-14(22-2)11-19-16(20-17)12-7-5-6-10-18-12/h3-11H,1-2H3
InChIKeyRULBLZKSANQWSB-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.71
Rot. Bonds5

About 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine

5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 1470741) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID1470741
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccccc1Sc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C17H15N3O2S/c1-21-13-8-3-4-9-15(13)23-17-14(22-2)11-19-16(20-17)12-7-5-6-10-18-12/h3-11H,1-2H3
InChIKeyRULBLZKSANQWSB-UHFFFAOYSA-N
XLogP3.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (CID 1470741) is 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is COc1ccccc1Sc1nc(-c2ccccn2)ncc1OC.
What is the InChIKey of 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is RULBLZKSANQWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-21-13-8-3-4-9-15(13)23-17-14(22-2)11-19-16(20-17)12-7-5-6-10-18-12/h3-11H,1-2H3.
What are the key properties of 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine has a molecular weight of 325.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1470741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).