2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile

C24H25N3O — CID 135503723

IUPAC2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc(CCC)c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]1
InChIInChI=1S/C24H25N3O/c1-3-7-22-21(24(28)27-23(26-22)8-4-2)15-17-11-13-18(14-12-17)20-10-6-5-9-19(20)16-25/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,26,27,28)
InChIKeyBZWOVRCWGKYFAR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.80
Rot. Bonds7

About 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile

2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile (PubChem CID 135503723) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
PubChem CID135503723
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc(CCC)c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]1
InChIInChI=1S/C24H25N3O/c1-3-7-22-21(24(28)27-23(26-22)8-4-2)15-17-11-13-18(14-12-17)20-10-6-5-9-19(20)16-25/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,26,27,28)
InChIKeyBZWOVRCWGKYFAR-UHFFFAOYSA-N
XLogP4.80
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-amino-4-butyl-6-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
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2-[3-[(2-methyl-6-oxo-4-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 136613234
2-[4-[[4-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 136614714
2-[4-[(3-oxo-5,7-dipropyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)methyl]phenyl]benzonitrile
CID 139638304
2-[4-[[2-methyl-1-(2-methylprop-1-enyl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile
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2-[4-[(2-ethyl-6-oxo-1-phenyl-4-propylpyrimidin-5-yl)methyl]phenyl]benzonitrile
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2-[4-[[1-(2-hydroxyethyl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 10385549
2-methyl-4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one
CID 135525308
2-[4-[(2,4-dibutyl-6-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
CID 135892621
2-[4-[[4-chloro-2-(methoxymethyl)-6-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 10408172
2-[4-[[2-methyl-6-oxo-1-(4-propan-2-ylphenyl)-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 57460655

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile (CID 135503723) is 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile is CCCc1nc(CCC)c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]1.
What is the InChIKey of 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile?
The InChIKey is BZWOVRCWGKYFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-3-7-22-21(24(28)27-23(26-22)8-4-2)15-17-11-13-18(14-12-17)20-10-6-5-9-19(20)16-25/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile?
2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile has a molecular weight of 371.48 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 135503723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).