N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

C18H21FN4O4 — CID 50926661

IUPACN-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCOCC2)n1
InChIInChI=1S/C18H21FN4O4/c1-26-12-15-10-17(25)23(18(21-15)22-5-7-27-8-6-22)11-16(24)20-14-4-2-3-13(19)9-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,24)
InChIKeyFMAFRUBIQWVUJY-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.00
Rot. Bonds6

About N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 50926661) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
PubChem CID50926661
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC NameN-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCOCC2)n1
InChIInChI=1S/C18H21FN4O4/c1-26-12-15-10-17(25)23(18(21-15)22-5-7-27-8-6-22)11-16(24)20-14-4-2-3-13(19)9-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,24)
InChIKeyFMAFRUBIQWVUJY-UHFFFAOYSA-N
XLogP1.00
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (CID 50926661) is N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCOCC2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is FMAFRUBIQWVUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-26-12-15-10-17(25)23(18(21-15)22-5-7-27-8-6-22)11-16(24)20-14-4-2-3-13(19)9-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,24).
What are the key properties of N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 376.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50926661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).