3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

C15H14Cl2N4O2 — CID 90544249

IUPAC3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N4O2/c16-11-5-10(6-12(17)7-11)15(22)20-13-8-14(19-9-18-13)21-1-3-23-4-2-21/h5-9H,1-4H2,(H,18,19,20,22)
InChIKeyBTHYZKXLVFZMJY-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.87
Rot. Bonds3

About 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (PubChem CID 90544249) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
PubChem CID90544249
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N4O2/c16-11-5-10(6-12(17)7-11)15(22)20-13-8-14(19-9-18-13)21-1-3-23-4-2-21/h5-9H,1-4H2,(H,18,19,20,22)
InChIKeyBTHYZKXLVFZMJY-UHFFFAOYSA-N
XLogP2.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
CID 71794873
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544115
2-(2,4-dichlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544150
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
CID 71794861

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (CID 90544249) is 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is O=C(Nc1cc(N2CCOCC2)ncn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The InChIKey is BTHYZKXLVFZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c16-11-5-10(6-12(17)7-11)15(22)20-13-8-14(19-9-18-13)21-1-3-23-4-2-21/h5-9H,1-4H2,(H,18,19,20,22).
What are the key properties of 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide has a molecular weight of 353.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 90544249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).