1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide

C17H18BrN3O4 — CID 66522786

IUPAC1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18BrN3O4/c18-10-6-8-12(9-7-10)21-16(24)13(15(23)20-17(21)25)14(22)19-11-4-2-1-3-5-11/h6-9,11,24H,1-5H2,(H,19,22)(H,20,23,25)
InChIKeyXEBYBBWQQYXBDC-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.06
Rot. Bonds3

About 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide

1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 66522786) has the molecular formula C17H18BrN3O4 and a molecular weight of 408.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
PubChem CID66522786
Molecular FormulaC17H18BrN3O4
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC Name1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18BrN3O4/c18-10-6-8-12(9-7-10)21-16(24)13(15(23)20-17(21)25)14(22)19-11-4-2-1-3-5-11/h6-9,11,24H,1-5H2,(H,19,22)(H,20,23,25)
InChIKeyXEBYBBWQQYXBDC-UHFFFAOYSA-N
XLogP2.06
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 66522617
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
N-cyclohexyl-6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 66522785
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3537598
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
3-(4-bromophenyl)-N-cyclohexyl-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 69045216
1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
N-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide (CID 66522786) is 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is XEBYBBWQQYXBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4/c18-10-6-8-12(9-7-10)21-16(24)13(15(23)20-17(21)25)14(22)19-11-4-2-1-3-5-11/h6-9,11,24H,1-5H2,(H,19,22)(H,20,23,25).
What are the key properties of 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 408.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 66522786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).