4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide

C13H13BrN4O2 — CID 80881436

IUPAC4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
SMILESCCNc1ncc(Br)c(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13BrN4O2/c1-2-16-13-17-7-10(14)12(18-13)20-9-5-3-8(4-6-9)11(15)19/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyCZUOMMFQRCOMPH-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.56
Rot. Bonds5

About 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide

4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide (PubChem CID 80881436) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
PubChem CID80881436
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
SMILESCCNc1ncc(Br)c(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13BrN4O2/c1-2-16-13-17-7-10(14)12(18-13)20-9-5-3-8(4-6-9)11(15)19/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyCZUOMMFQRCOMPH-UHFFFAOYSA-N
XLogP2.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
CID 104507271
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide (CID 80881436) is 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide is CCNc1ncc(Br)c(Oc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
The InChIKey is CZUOMMFQRCOMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-2-16-13-17-7-10(14)12(18-13)20-9-5-3-8(4-6-9)11(15)19/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide has a molecular weight of 337.18 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 80881436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).