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

C17H19ClN4O2 — CID 72718377

IUPAC2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-10-13(21-17(20-12)22-6-8-24-9-7-22)11-19-16(23)14-4-2-3-5-15(14)18/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyNOFWJJGULRQVEX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.21
Rot. Bonds4

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

2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 72718377) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID72718377
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-10-13(21-17(20-12)22-6-8-24-9-7-22)11-19-16(23)14-4-2-3-5-15(14)18/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyNOFWJJGULRQVEX-UHFFFAOYSA-N
XLogP2.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
5-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122353746
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 91967478
1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
CID 122353728
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
2-(1H-indol-3-yl)-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 91967492
2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide
CID 91967565
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (CID 72718377) is 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccccc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is NOFWJJGULRQVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-10-13(21-17(20-12)22-6-8-24-9-7-22)11-19-16(23)14-4-2-3-5-15(14)18/h2-5,10H,6-9,11H2,1H3,(H,19,23).
What are the key properties of 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 346.82 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 72718377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).