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

C13H13ClN4O2 — CID 80862531

IUPAC2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
SMILESCCNc1ncc(Cl)c(Oc2ccccc2C(N)=O)n1
InChIInChI=1S/C13H13ClN4O2/c1-2-16-13-17-7-9(14)12(18-13)20-10-6-4-3-5-8(10)11(15)19/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyARYFMJBEMVRUBA-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.45
Rot. Bonds5

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

2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide (PubChem CID 80862531) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
PubChem CID80862531
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
SMILESCCNc1ncc(Cl)c(Oc2ccccc2C(N)=O)n1
InChIInChI=1S/C13H13ClN4O2/c1-2-16-13-17-7-9(14)12(18-13)20-10-6-4-3-5-8(10)11(15)19/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyARYFMJBEMVRUBA-UHFFFAOYSA-N
XLogP2.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
CID 103046129
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81144706
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-N-ethyl-4-(3-methylbut-3-enoxy)pyrimidin-2-amine
CID 114471144
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide (CID 80862531) is 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide is CCNc1ncc(Cl)c(Oc2ccccc2C(N)=O)n1.
What is the InChIKey of 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
The InChIKey is ARYFMJBEMVRUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-2-16-13-17-7-9(14)12(18-13)20-10-6-4-3-5-8(10)11(15)19/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide?
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide has a molecular weight of 292.73 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 80862531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).