4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine

C17H15N3O2S — CID 3270210

IUPAC4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine
SMILESCS(=O)Cc1cc(Oc2ccccc2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H15N3O2S/c1-23(21)12-14-11-16(22-15-5-3-2-4-6-15)20-17(19-14)13-7-9-18-10-8-13/h2-11H,12H2,1H3
InChIKeyVLRMNFNGYXSIPJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.21
Rot. Bonds5

About 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine

4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine (PubChem CID 3270210) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine
PubChem CID3270210
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine
SMILESCS(=O)Cc1cc(Oc2ccccc2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H15N3O2S/c1-23(21)12-14-11-16(22-15-5-3-2-4-6-15)20-17(19-14)13-7-9-18-10-8-13/h2-11H,12H2,1H3
InChIKeyVLRMNFNGYXSIPJ-UHFFFAOYSA-N
XLogP3.21
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
CID 719310
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
4-(4-Methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 921320
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1478442
4-Phenoxy-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471763
4-(Benzenesulfinylmethyl)-6-phenoxy-2-phenylpyrimidine
CID 1489491
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
6-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridinyl]pyrimidin-4-amine
CID 74767656
4-(4-Methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 2810255
4-[[3-(4-Pyrimidinyl)-2-pyridinyl]oxy]benzenamine
CID 59373989
6-[2-(3-Carbamimidoyl-phenoxy)-pyrimidin-4-yloxy]-pyridine-2-carboxamidine
CID 44293745

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine (CID 3270210) is 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine is CS(=O)Cc1cc(Oc2ccccc2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine?
The InChIKey is VLRMNFNGYXSIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23(21)12-14-11-16(22-15-5-3-2-4-6-15)20-17(19-14)13-7-9-18-10-8-13/h2-11H,12H2,1H3.
What are the key properties of 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine?
4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine has a molecular weight of 325.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfinylmethyl)-6-phenoxy-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 3270210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).