4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide

C11H9ClN4O2 — CID 80881851

IUPAC4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1ccc(Oc2nc(N)ncc2Cl)cc1
InChIInChI=1S/C11H9ClN4O2/c12-8-5-15-11(14)16-10(8)18-7-3-1-6(2-4-7)9(13)17/h1-5H,(H2,13,17)(H2,14,15,16)
InChIKeyJTCRWCOTCYQCEE-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.60
Rot. Bonds3

About 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide

4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide (PubChem CID 80881851) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide
PubChem CID80881851
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1ccc(Oc2nc(N)ncc2Cl)cc1
InChIInChI=1S/C11H9ClN4O2/c12-8-5-15-11(14)16-10(8)18-7-3-1-6(2-4-7)9(13)17/h1-5H,(H2,13,17)(H2,14,15,16)
InChIKeyJTCRWCOTCYQCEE-UHFFFAOYSA-N
XLogP1.60
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874158
5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]benzamide
CID 102762897
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 103331970
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470
4-[(3-amino-2-pyridinyl)oxy]benzamide
CID 15942962
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 55229282
4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80864784
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
CID 104507271

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide?
The IUPAC name of 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide (CID 80881851) is 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide is NC(=O)c1ccc(Oc2nc(N)ncc2Cl)cc1.
What is the InChIKey of 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide?
The InChIKey is JTCRWCOTCYQCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-8-5-15-11(14)16-10(8)18-7-3-1-6(2-4-7)9(13)17/h1-5H,(H2,13,17)(H2,14,15,16).
What are the key properties of 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide?
4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide has a molecular weight of 264.67 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 80881851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).