2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one

C24H26N6O — CID 67940252

IUPAC2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
SMILESCCCCc1nc(CC)cc(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C24H26N6O/c1-3-5-11-22-25-19(4-2)15-23(31)30(22)16-17-12-13-20(18-9-7-6-8-10-18)21(14-17)24-26-28-29-27-24/h6-10,12-15H,3-5,11,16H2,1-2H3,(H,26,27,28,29)
InChIKeyLYZJLRRJEQXPHP-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.04
Rot. Bonds8

About 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one

2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one (PubChem CID 67940252) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
PubChem CID67940252
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
SMILESCCCCc1nc(CC)cc(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C24H26N6O/c1-3-5-11-22-25-19(4-2)15-23(31)30(22)16-17-12-13-20(18-9-7-6-8-10-18)21(14-17)24-26-28-29-27-24/h6-10,12-15H,3-5,11,16H2,1-2H3,(H,26,27,28,29)
InChIKeyLYZJLRRJEQXPHP-UHFFFAOYSA-N
XLogP4.04
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylic acid
CID 67710440
6-[2-butyl-5-methyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-3-methyl-1H-pyridin-2-one
CID 67698006
5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
CID 67647571
5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
CID 67649494
5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propylimidazole-4-carboxylic acid
CID 67593224
4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
CID 67910519
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
CID 67910457
1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylate
CID 19091497
[2-butyl-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazo[4,5-b]pyridin-5-yl]methanol
CID 23216593

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one (CID 67940252) is 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one is CCCCc1nc(CC)cc(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one?
The InChIKey is LYZJLRRJEQXPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-3-5-11-22-25-19(4-2)15-23(31)30(22)16-17-12-13-20(18-9-7-6-8-10-18)21(14-17)24-26-28-29-27-24/h6-10,12-15H,3-5,11,16H2,1-2H3,(H,26,27,28,29).
What are the key properties of 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one?
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one has a molecular weight of 414.51 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 67940252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).