4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

C18H17N3O2 — CID 1474153

IUPAC4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C
InChIInChI=1S/C18H17N3O2/c1-12-7-6-8-13(2)16(12)23-18-15(22-3)11-20-17(21-18)14-9-4-5-10-19-14/h4-11H,1-3H3
InChIKeyLTVKLRHBVSLSPX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.96
Rot. Bonds4

About 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 1474153) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID1474153
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C
InChIInChI=1S/C18H17N3O2/c1-12-7-6-8-13(2)16(12)23-18-15(22-3)11-20-17(21-18)14-9-4-5-10-19-14/h4-11H,1-3H3
InChIKeyLTVKLRHBVSLSPX-UHFFFAOYSA-N
XLogP3.96
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(2-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 929925
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 71086089
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrimidine
CID 71488707
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one
CID 76073506
5-(2-fluoropyridin-4-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76280988
4-(2,4-Difluorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1470718

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 1474153) is 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is LTVKLRHBVSLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-6-8-13(2)16(12)23-18-15(22-3)11-20-17(21-18)14-9-4-5-10-19-14/h4-11H,1-3H3.
What are the key properties of 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 307.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1474153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).