2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine

C19H14FN3O — CID 175202056

IUPAC2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine
SMILESC#Cc1cc(C)c(-c2ccc(F)c(Oc3nccc(C)n3)c2)cn1
InChIInChI=1S/C19H14FN3O/c1-4-15-9-12(2)16(11-22-15)14-5-6-17(20)18(10-14)24-19-21-8-7-13(3)23-19/h1,5-11H,2-3H3
InChIKeyXPJPMJZKMFDWGP-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.07
Rot. Bonds3

About 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine

2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine (PubChem CID 175202056) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine
PubChem CID175202056
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine
SMILESC#Cc1cc(C)c(-c2ccc(F)c(Oc3nccc(C)n3)c2)cn1
InChIInChI=1S/C19H14FN3O/c1-4-15-9-12(2)16(11-22-15)14-5-6-17(20)18(10-14)24-19-21-8-7-13(3)23-19/h1,5-11H,2-3H3
InChIKeyXPJPMJZKMFDWGP-UHFFFAOYSA-N
XLogP4.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
6-Ethyl-5-[3-(2-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 118753247
6-Ethyl-5-[3-[2-methoxy-5-(1-oxidopyridin-1-ium-4-yl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine
CID 118753249
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine?
The IUPAC name of 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine (CID 175202056) is 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine.
What is the SMILES notation for 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine?
The canonical SMILES for 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine is C#Cc1cc(C)c(-c2ccc(F)c(Oc3nccc(C)n3)c2)cn1.
What is the InChIKey of 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine?
The InChIKey is XPJPMJZKMFDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-4-15-9-12(2)16(11-22-15)14-5-6-17(20)18(10-14)24-19-21-8-7-13(3)23-19/h1,5-11H,2-3H3.
What are the key properties of 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine?
2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine has a molecular weight of 319.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-ethynyl-4-methyl-3-pyridinyl)-2-fluorophenoxy]-4-methylpyrimidine is sourced from PubChem (CID 175202056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).