N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

C17H19FN4O2 — CID 20959635

IUPACN-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnc(N2CCOCC2)nc1C
InChIInChI=1S/C17H19FN4O2/c1-11-9-13(18)3-4-15(11)21-16(23)14-10-19-17(20-12(14)2)22-5-7-24-8-6-22/h3-4,9-10H,5-8H2,1-2H3,(H,21,23)
InChIKeyDVVSRWRCFWUXHE-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.32
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 20959635) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID20959635
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnc(N2CCOCC2)nc1C
InChIInChI=1S/C17H19FN4O2/c1-11-9-13(18)3-4-15(11)21-16(23)14-10-19-17(20-12(14)2)22-5-7-24-8-6-22/h3-4,9-10H,5-8H2,1-2H3,(H,21,23)
InChIKeyDVVSRWRCFWUXHE-UHFFFAOYSA-N
XLogP2.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504408
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345549
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 20959635) is N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1cc(F)ccc1NC(=O)c1cnc(N2CCOCC2)nc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is DVVSRWRCFWUXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-9-13(18)3-4-15(11)21-16(23)14-10-19-17(20-12(14)2)22-5-7-24-8-6-22/h3-4,9-10H,5-8H2,1-2H3,(H,21,23).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).