5-(4-phenoxyphenyl)pyrimidine;propane

C19H20N2O — CID 153341834

IUPAC5-(4-phenoxyphenyl)pyrimidine;propane
SMILESCCC.c1ccc(Oc2ccc(-c3cncnc3)cc2)cc1
InChIInChI=1S/C16H12N2O.C3H8/c1-2-4-15(5-3-1)19-16-8-6-13(7-9-16)14-10-17-12-18-11-14;1-3-2/h1-12H;3H2,1-2H3
InChIKeyNEMBLALPAYYWTM-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.35
Rot. Bonds3

About 5-(4-phenoxyphenyl)pyrimidine;propane

5-(4-phenoxyphenyl)pyrimidine;propane (PubChem CID 153341834) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)pyrimidine;propane.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)pyrimidine;propane
PubChem CID153341834
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-(4-phenoxyphenyl)pyrimidine;propane
SMILESCCC.c1ccc(Oc2ccc(-c3cncnc3)cc2)cc1
InChIInChI=1S/C16H12N2O.C3H8/c1-2-4-15(5-3-1)19-16-8-6-13(7-9-16)14-10-17-12-18-11-14;1-3-2/h1-12H;3H2,1-2H3
InChIKeyNEMBLALPAYYWTM-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-pyridin-3-yloxyphenyl)pyrimidine
CID 166380343
ethane;phenoxybenzene;propane
CID 90923491
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene
CID 67262862
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
5-(4-propylphenyl)pyrimidine
CID 89220429
5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine
CID 102365642
N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 93232609
2,2-dimethyl-3-[[4-(4-phenoxyphenyl)-5-pyrimidin-5-yl-1,3-thiazol-2-yl]amino]propanoic acid
CID 164706602
2-(4-phenylphenoxy)pyrazine
CID 518373
3-[4-(4-fluorophenoxy)phenyl]pyridine
CID 91298278

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)pyrimidine;propane?
The IUPAC name of 5-(4-phenoxyphenyl)pyrimidine;propane (CID 153341834) is 5-(4-phenoxyphenyl)pyrimidine;propane.
What is the SMILES notation for 5-(4-phenoxyphenyl)pyrimidine;propane?
The canonical SMILES for 5-(4-phenoxyphenyl)pyrimidine;propane is CCC.c1ccc(Oc2ccc(-c3cncnc3)cc2)cc1.
What is the InChIKey of 5-(4-phenoxyphenyl)pyrimidine;propane?
The InChIKey is NEMBLALPAYYWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O.C3H8/c1-2-4-15(5-3-1)19-16-8-6-13(7-9-16)14-10-17-12-18-11-14;1-3-2/h1-12H;3H2,1-2H3.
What are the key properties of 5-(4-phenoxyphenyl)pyrimidine;propane?
5-(4-phenoxyphenyl)pyrimidine;propane has a molecular weight of 292.38 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)pyrimidine;propane is sourced from PubChem (CID 153341834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).