1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one

C25H26N2O — CID 167106474

IUPAC1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one
SMILESC=C(Cc1cnc(-c2ccc(CC(C)=O)cc2)nc1)c1ccc(CCC)cc1
InChIInChI=1S/C25H26N2O/c1-4-5-20-6-10-23(11-7-20)18(2)14-22-16-26-25(27-17-22)24-12-8-21(9-13-24)15-19(3)28/h6-13,16-17H,2,4-5,14-15H2,1,3H3
InChIKeyVJIGVESEFOYVQO-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.48
Rot. Bonds8

About 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one

1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one (PubChem CID 167106474) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one
PubChem CID167106474
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one
SMILESC=C(Cc1cnc(-c2ccc(CC(C)=O)cc2)nc1)c1ccc(CCC)cc1
InChIInChI=1S/C25H26N2O/c1-4-5-20-6-10-23(11-7-20)18(2)14-22-16-26-25(27-17-22)24-12-8-21(9-13-24)15-19(3)28/h6-13,16-17H,2,4-5,14-15H2,1,3H3
InChIKeyVJIGVESEFOYVQO-UHFFFAOYSA-N
XLogP5.48
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylphenyl)propan-2-one
CID 82490574
1-(2-phenylprop-2-enyl)-4-propylbenzene
CID 57162599
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
2-[4-(5-decylpyrimidin-2-yl)phenyl]acetic acid
CID 70283460
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
7-[4-[2-(4-propylphenyl)pyrimidin-5-yl]phenyl]heptanoic acid
CID 70190328
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one (CID 167106474) is 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one is C=C(Cc1cnc(-c2ccc(CC(C)=O)cc2)nc1)c1ccc(CCC)cc1.
What is the InChIKey of 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one?
The InChIKey is VJIGVESEFOYVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-4-5-20-6-10-23(11-7-20)18(2)14-22-16-26-25(27-17-22)24-12-8-21(9-13-24)15-19(3)28/h6-13,16-17H,2,4-5,14-15H2,1,3H3.
What are the key properties of 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one?
1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one has a molecular weight of 370.50 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one is sourced from PubChem (CID 167106474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).