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

C17H15N3O2S — CID 1487220

IUPAC5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccc(Sc2nc(-c3ccccn3)ncc2OC)cc1
InChIInChI=1S/C17H15N3O2S/c1-21-12-6-8-13(9-7-12)23-17-15(22-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyKQIHSDIGUBVIJR-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.71
Rot. Bonds5

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

5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 1487220) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID1487220
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccc(Sc2nc(-c3ccccn3)ncc2OC)cc1
InChIInChI=1S/C17H15N3O2S/c1-21-12-6-8-13(9-7-12)23-17-15(22-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyKQIHSDIGUBVIJR-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

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Related Compounds

5-Methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-phenylpyrimidine
CID 1491530
5-Methoxy-4-[(2-methoxyphenyl)sulfanyl]-2-phenylpyrimidine
CID 1491532
Methyl 4-{[2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]sulfanyl}phenyl ether
CID 1475335
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
N-(2-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 649324
4-[(4-Fluorophenyl)sulfanyl]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 1487221
Methyl 4-(phenylsulfanyl)-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1487222
5-Methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
CID 1470741
5-methoxy-4-[(4-methoxyphenyl)sulfanyl]-N,N-dimethyl-2-pyrimidinamine
CID 1479127
4-[(3-Fluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
CID 127039748
4-[(2-Fluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
CID 127040059
4-[(4-Fluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
CID 127040093

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine (CID 1487220) is 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is COc1ccc(Sc2nc(-c3ccccn3)ncc2OC)cc1.
What is the InChIKey of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is KQIHSDIGUBVIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-21-12-6-8-13(9-7-12)23-17-15(22-2)11-19-16(20-17)14-5-3-4-10-18-14/h3-11H,1-2H3.
What are the key properties of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
5-methoxy-4-(4-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-(4-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1487220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).