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

C25H28N6O2 — CID 19781924

IUPAC2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one
SMILESCCCCc1nc(C)cc(=O)n1Cc1ccc(OC(c2nn[nH]n2)c2ccccc2C)cc1
InChIInChI=1S/C25H28N6O2/c1-4-5-10-22-26-18(3)15-23(32)31(22)16-19-11-13-20(14-12-19)33-24(25-27-29-30-28-25)21-9-7-6-8-17(21)2/h6-9,11-15,24H,4-5,10,16H2,1-3H3,(H,27,28,29,30)
InChIKeyOWJRQUNEKMHCDM-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.93
Rot. Bonds9

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

2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one (PubChem CID 19781924) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one
PubChem CID19781924
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one
SMILESCCCCc1nc(C)cc(=O)n1Cc1ccc(OC(c2nn[nH]n2)c2ccccc2C)cc1
InChIInChI=1S/C25H28N6O2/c1-4-5-10-22-26-18(3)15-23(32)31(22)16-19-11-13-20(14-12-19)33-24(25-27-29-30-28-25)21-9-7-6-8-17(21)2/h6-9,11-15,24H,4-5,10,16H2,1-3H3,(H,27,28,29,30)
InChIKeyOWJRQUNEKMHCDM-UHFFFAOYSA-N
XLogP3.93
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-4-[[4-[(2-chlorophenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]-2-(hydroxymethyl)-1,2,4-triazol-3-one
CID 19781908
2-butyl-6-(2-chlorophenyl)-3-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]methyl]pyrimidin-4-one
CID 67757410
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
2-butyl-6-(phenoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 18942283
2-butyl-3-[[4-[[2-chloro-3-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]methyl]-6-methylquinazolin-4-one
CID 67756659
2-butyl-6-[(3-methylphenoxy)methyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19100846
2-butyl-5-(2-chlorophenyl)-3-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]methyl]pyrimidin-4-one
CID 67757362
N-(benzenesulfonyl)-N-[[4-[(2-butyl-6-methylsulfonyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-(2-chlorophenyl)methyl]formamide
CID 54285542
2-butyl-7-(4-fluorophenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 15230389
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
methyl 2-[4-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-2-phenylacetate
CID 15291262

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one (CID 19781924) is 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one is CCCCc1nc(C)cc(=O)n1Cc1ccc(OC(c2nn[nH]n2)c2ccccc2C)cc1.
What is the InChIKey of 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one?
The InChIKey is OWJRQUNEKMHCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-4-5-10-22-26-18(3)15-23(32)31(22)16-19-11-13-20(14-12-19)33-24(25-27-29-30-28-25)21-9-7-6-8-17(21)2/h6-9,11-15,24H,4-5,10,16H2,1-3H3,(H,27,28,29,30).
What are the key properties of 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one?
2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one has a molecular weight of 444.54 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methyl-3-[[4-[(2-methylphenyl)-(2H-tetrazol-5-yl)methoxy]phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 19781924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).