1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide

C17H12BrN3O4 — CID 66522731

IUPAC1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)n(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C17H12BrN3O4/c18-10-5-4-8-12(9-10)21-16(24)13(15(23)20-17(21)25)14(22)19-11-6-2-1-3-7-11/h1-9,24H,(H,19,22)(H,20,23,25)
InChIKeyNIWILLGQOIMVDH-UHFFFAOYSA-N
MW402.20 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide

1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 66522731) has the molecular formula C17H12BrN3O4 and a molecular weight of 402.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
PubChem CID66522731
Molecular FormulaC17H12BrN3O4
Molecular Weight402.20 g/mol
Exact Mass401.00
IUPAC Name1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)n(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C17H12BrN3O4/c18-10-5-4-8-12(9-10)21-16(24)13(15(23)20-17(21)25)14(22)19-11-6-2-1-3-7-11/h1-9,24H,(H,19,22)(H,20,23,25)
InChIKeyNIWILLGQOIMVDH-UHFFFAOYSA-N
XLogP2.25
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.20
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (CID 66522731) is 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1c(O)n(-c2cccc(Br)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is NIWILLGQOIMVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O4/c18-10-5-4-8-12(9-10)21-16(24)13(15(23)20-17(21)25)14(22)19-11-6-2-1-3-7-11/h1-9,24H,(H,19,22)(H,20,23,25).
What are the key properties of 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 402.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 66522731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).