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

C16H16BrN7O3 — CID 46583357

IUPAC6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H16BrN7O3/c1-8(12(25)11-13(18)22(2)16(27)23(3)15(11)26)24-20-14(19-21-24)9-4-6-10(17)7-5-9/h4-8H,18H2,1-3H3
InChIKeyGUVGGKUNJJPFAH-UHFFFAOYSA-N
MW434.25 g/mol
LogP0.53
Rot. Bonds4

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

6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 46583357) has the molecular formula C16H16BrN7O3 and a molecular weight of 434.25 g/mol. Its IUPAC name is 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID46583357
Molecular FormulaC16H16BrN7O3
Molecular Weight434.25 g/mol
Exact Mass433.05
IUPAC Name6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H16BrN7O3/c1-8(12(25)11-13(18)22(2)16(27)23(3)15(11)26)24-20-14(19-21-24)9-4-6-10(17)7-5-9/h4-8H,18H2,1-3H3
InChIKeyGUVGGKUNJJPFAH-UHFFFAOYSA-N
XLogP0.53
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 51595719
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dimethoxyphenyl)propan-1-one
CID 60603269
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46647379
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 46624217
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 43024295
1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
CID 42981745
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 78788514
6-amino-1,3-dimethyl-5-[(2R)-2-pyrimidin-2-ylsulfanylpropanoyl]pyrimidine-2,4-dione
CID 40803849
(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
CID 94216245
6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27171786

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 46583357) is 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)n1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GUVGGKUNJJPFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN7O3/c1-8(12(25)11-13(18)22(2)16(27)23(3)15(11)26)24-20-14(19-21-24)9-4-6-10(17)7-5-9/h4-8H,18H2,1-3H3.
What are the key properties of 6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 434.25 g/mol, XLogP of 0.53, 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]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46583357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).