5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine

C16H13N3O2 — CID 146597513

IUPAC5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
SMILESCOc1ccc(-c2cnc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C16H13N3O2/c1-20-15-8-7-12(9-17-15)13-10-18-16(19-11-13)21-14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyILTCEIVAYNKUFL-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.34
Rot. Bonds4

About 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine

5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine (PubChem CID 146597513) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
PubChem CID146597513
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
SMILESCOc1ccc(-c2cnc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C16H13N3O2/c1-20-15-8-7-12(9-17-15)13-10-18-16(19-11-13)21-14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyILTCEIVAYNKUFL-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

1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
CID 162507455
2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 162507482
5-(2-methyl-4-pyridinyl)-2-phenoxypyrimidine
CID 162507638
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
2-(methoxymethyl)-6-(2-phenoxypyrimidin-5-yl)imidazo[1,2-a]pyridine
CID 162507445
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
N-(3-methoxypropyl)-4-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116798

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine (CID 146597513) is 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine is COc1ccc(-c2cnc(Oc3ccccc3)nc2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine?
The InChIKey is ILTCEIVAYNKUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-20-15-8-7-12(9-17-15)13-10-18-16(19-11-13)21-14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine?
5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine 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-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine is sourced from PubChem (CID 146597513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).