4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide

C12H10ClN3O2 — CID 55229282

IUPAC4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
SMILESCc1c(Cl)ncnc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H10ClN3O2/c1-7-10(13)15-6-16-12(7)18-9-4-2-8(3-5-9)11(14)17/h2-6H,1H3,(H2,14,17)
InChIKeySNHBAJQIDSVFFF-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.33
Rot. Bonds3

About 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide

4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide (PubChem CID 55229282) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
PubChem CID55229282
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
SMILESCc1c(Cl)ncnc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H10ClN3O2/c1-7-10(13)15-6-16-12(7)18-9-4-2-8(3-5-9)11(14)17/h2-6H,1H3,(H2,14,17)
InChIKeySNHBAJQIDSVFFF-UHFFFAOYSA-N
XLogP2.33
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 63734333
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
CID 55230242
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
CID 80882078
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
CID 80874832
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
CID 104507271
4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide
CID 80881851
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 63735740
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide (CID 55229282) is 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide is Cc1c(Cl)ncnc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide?
The InChIKey is SNHBAJQIDSVFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-10(13)15-6-16-12(7)18-9-4-2-8(3-5-9)11(14)17/h2-6H,1H3,(H2,14,17).
What are the key properties of 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide?
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide has a molecular weight of 263.68 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 55229282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).