6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C15H14BrN7O3 — CID 51595719

IUPAC6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H14BrN7O3/c1-21-12(17)11(14(25)22(2)15(21)26)10(24)7-23-19-13(18-20-23)8-3-5-9(16)6-4-8/h3-6H,7,17H2,1-2H3
InChIKeyQRJOYCXMUNLAOC-UHFFFAOYSA-N
MW420.23 g/mol
LogP-0.03
Rot. Bonds4

About 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 51595719) has the molecular formula C15H14BrN7O3 and a molecular weight of 420.23 g/mol. Its IUPAC name is 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID51595719
Molecular FormulaC15H14BrN7O3
Molecular Weight420.23 g/mol
Exact Mass419.03
IUPAC Name6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H14BrN7O3/c1-21-12(17)11(14(25)22(2)15(21)26)10(24)7-23-19-13(18-20-23)8-3-5-9(16)6-4-8/h3-6H,7,17H2,1-2H3
InChIKeyQRJOYCXMUNLAOC-UHFFFAOYSA-N
XLogP-0.03
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46583357
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 78788514
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 30822735
N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
CID 8598069
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9485245
5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
CID 52727894
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
6-amino-1,3-dimethyl-5-[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24564828
6-amino-1,3-dimethyl-5-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584592
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 51595719) is 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QRJOYCXMUNLAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN7O3/c1-21-12(17)11(14(25)22(2)15(21)26)10(24)7-23-19-13(18-20-23)8-3-5-9(16)6-4-8/h3-6H,7,17H2,1-2H3.
What are the key properties of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 420.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 51595719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).