2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide

C17H18ClFN4O2 — CID 91968602

IUPAC2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H18ClFN4O2/c1-10-15(22-16(24)13-4-3-12(19)9-14(13)18)11(2)21-17(20-10)23-5-7-25-8-6-23/h3-4,9H,5-8H2,1-2H3,(H,22,24)
InChIKeyYSOSHDKVTDMZRR-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.97
Rot. Bonds3

About 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide

2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide (PubChem CID 91968602) has the molecular formula C17H18ClFN4O2 and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
PubChem CID91968602
Molecular FormulaC17H18ClFN4O2
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC Name2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H18ClFN4O2/c1-10-15(22-16(24)13-4-3-12(19)9-14(13)18)11(2)21-17(20-10)23-5-7-25-8-6-23/h3-4,9H,5-8H2,1-2H3,(H,22,24)
InChIKeyYSOSHDKVTDMZRR-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide (CID 91968602) is 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide?
The InChIKey is YSOSHDKVTDMZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O2/c1-10-15(22-16(24)13-4-3-12(19)9-14(13)18)11(2)21-17(20-10)23-5-7-25-8-6-23/h3-4,9H,5-8H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide?
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide has a molecular weight of 364.81 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 91968602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).