5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine

C16H13N3O2 — CID 3849120

IUPAC5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccccc1
InChIInChI=1S/C16H13N3O2/c1-20-14-11-18-15(13-9-5-6-10-17-13)19-16(14)21-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySBZUPWOCVDOWPP-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.34
Rot. Bonds4

About 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine

5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine (PubChem CID 3849120) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine
PubChem CID3849120
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1ccccc1
InChIInChI=1S/C16H13N3O2/c1-20-14-11-18-15(13-9-5-6-10-17-13)19-16(14)21-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySBZUPWOCVDOWPP-UHFFFAOYSA-N
XLogP3.34
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Chlorophenoxy)-6-methyl-2-(2-pyridyl)pyrimidine
CID 2725932
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-(4-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475725
4-N-butyl-5-[(3,4-dimethoxy-2-pyridinyl)methoxy]pyrimidine-2,4-diamine
CID 66575872
4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine
CID 10545706
3-Methyl-1-[2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidin-4-yl]azetidine-3-carbonitrile
CID 126961699
4-(2,4-Difluorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1470718
5-Methoxy-4-(2-methylphenoxy)-2-phenylpyrimidine
CID 1472564
5-Methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
CID 1472565
4-(2,6-Dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1474153
5-Methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-(2-pyridinyl)pyrimidine
CID 1487220

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine (CID 3849120) is 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1ccccc1.
What is the InChIKey of 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is SBZUPWOCVDOWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-20-14-11-18-15(13-9-5-6-10-17-13)19-16(14)21-12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine?
5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 279.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 3849120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).