N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

C20H18BrN3O2 — CID 136982614

IUPACN-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O2/c1-20(2,14-9-6-10-15(21)11-14)24-19(26)16-12-17(25)23-18(22-16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeySGRMZZIRYKLNFF-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (PubChem CID 136982614) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
PubChem CID136982614
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC NameN-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESCC(C)(NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O2/c1-20(2,14-9-6-10-15(21)11-14)24-19(26)16-12-17(25)23-18(22-16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeySGRMZZIRYKLNFF-UHFFFAOYSA-N
XLogP3.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982858
2-(3-bromophenyl)propan-2-ylcarbamic acid
CID 68549708
N-[(1R)-1-naphthalen-1-ylethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982863
N-[(1R)-2,2-dimethyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136983177
N-[1-(4-fluorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982729
N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982732
N-[1-(3-chlorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982731
N-[(1R)-1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982992
6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
CID 137126229
N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982966
6-oxo-2-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982822
N-[(1R)-1-(4-hydroxyphenyl)-2-methylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982554

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (CID 136982614) is N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is CC(C)(NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The InChIKey is SGRMZZIRYKLNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-20(2,14-9-6-10-15(21)11-14)24-19(26)16-12-17(25)23-18(22-16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide has a molecular weight of 412.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).