2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

C15H15ClN4O2 — CID 90544108

IUPAC2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O2/c16-12-4-2-1-3-11(12)15(21)19-13-9-14(18-10-17-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,17,18,19,21)
InChIKeySJEUVMFFDAFSSU-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (PubChem CID 90544108) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
PubChem CID90544108
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O2/c16-12-4-2-1-3-11(12)15(21)19-13-9-14(18-10-17-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,17,18,19,21)
InChIKeySJEUVMFFDAFSSU-UHFFFAOYSA-N
XLogP2.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544115
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
CID 90544210
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
CID 71794873
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
2-(2,4-dichlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (CID 90544108) is 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is O=C(Nc1cc(N2CCOCC2)ncn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The InChIKey is SJEUVMFFDAFSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-12-4-2-1-3-11(12)15(21)19-13-9-14(18-10-17-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,17,18,19,21).
What are the key properties of 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide has a molecular weight of 318.76 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 90544108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).