ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate

C13H12BrN3O3 — CID 135465944

IUPACethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H12BrN3O3/c1-2-20-13(19)17-12-15-10(9(14)11(18)16-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyMHPBJULUYMDTNN-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.77
Rot. Bonds3

About ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate

ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate (PubChem CID 135465944) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
PubChem CID135465944
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Nameethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H12BrN3O3/c1-2-20-13(19)17-12-15-10(9(14)11(18)16-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyMHPBJULUYMDTNN-UHFFFAOYSA-N
XLogP2.77
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 136609072
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 135894937
ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136730198
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 34314660
5-bromo-2-(1-ethylpyrazol-4-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136677135
ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065544
ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
CID 102517664

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
The IUPAC name of ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate (CID 135465944) is ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1.
What is the InChIKey of ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
The InChIKey is MHPBJULUYMDTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-2-20-13(19)17-12-15-10(9(14)11(18)16-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,15,16,17,18,19).
What are the key properties of ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate has a molecular weight of 338.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate is sourced from PubChem (CID 135465944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).