3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione

C28H26N6O2 — CID 67846425

IUPAC3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C28H26N6O2/c1-2-10-22-17-26(35)34(18-20-11-4-3-5-12-20)28(36)33(22)19-21-13-6-7-14-23(21)24-15-8-9-16-25(24)27-29-31-32-30-27/h3-9,11-17H,2,10,18-19H2,1H3,(H,29,30,31,32)
InChIKeyHJJDAIKJUPBINK-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.91
Rot. Bonds8

About 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione

3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 67846425) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID67846425
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C28H26N6O2/c1-2-10-22-17-26(35)34(18-20-11-4-3-5-12-20)28(36)33(22)19-21-13-6-7-14-23(21)24-15-8-9-16-25(24)27-29-31-32-30-27/h3-9,11-17H,2,10,18-19H2,1H3,(H,29,30,31,32)
InChIKeyHJJDAIKJUPBINK-UHFFFAOYSA-N
XLogP3.91
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 67846397
1-propanoyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741156
1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one
CID 139699075
6-methylsulfanyl-3-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 19811549
1-butan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740663
1-benzyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384220
3-(2-phenylethyl)-1,8-dipropyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911445
1-(2-ethylphenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54351824
3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1-propanoyl-4-propylimidazol-2-one
CID 67910659
1-(2-chloro-6-methylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 22566813
1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384820
1-(2-methoxyphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 22566861

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione (CID 67846425) is 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione is CCCc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is HJJDAIKJUPBINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-2-10-22-17-26(35)34(18-20-11-4-3-5-12-20)28(36)33(22)19-21-13-6-7-14-23(21)24-15-8-9-16-25(24)27-29-31-32-30-27/h3-9,11-17H,2,10,18-19H2,1H3,(H,29,30,31,32).
What are the key properties of 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 478.56 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 67846425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).