N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C17H19FN4O3 — CID 75538788

IUPACN-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O3/c1-24-11-15-14(16(23)20-13-4-2-12(18)3-5-13)10-19-17(21-15)22-6-8-25-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,20,23)
InChIKeyCXYDREIBVSJJGK-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.85
Rot. Bonds5

About N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 75538788) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID75538788
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O3/c1-24-11-15-14(16(23)20-13-4-2-12(18)3-5-13)10-19-17(21-15)22-6-8-25-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,20,23)
InChIKeyCXYDREIBVSJJGK-UHFFFAOYSA-N
XLogP1.85
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 75538628
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 75538788) is N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is CXYDREIBVSJJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-24-11-15-14(16(23)20-13-4-2-12(18)3-5-13)10-19-17(21-15)22-6-8-25-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 75538788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).