N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

C17H19FN4O2 — CID 56731245

IUPACN-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H19FN4O2/c1-12-10-15(21-17(20-12)22-6-8-24-9-7-22)16(23)19-11-13-4-2-3-5-14(13)18/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyJIAAGEHTFLMOPT-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.69
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 56731245) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID56731245
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H19FN4O2/c1-12-10-15(21-17(20-12)22-6-8-24-9-7-22)16(23)19-11-13-4-2-3-5-14(13)18/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyJIAAGEHTFLMOPT-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330747
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837960
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
2-(2-fluorophenyl)-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 122333558

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 56731245) is N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2F)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is JIAAGEHTFLMOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-10-15(21-17(20-12)22-6-8-24-9-7-22)16(23)19-11-13-4-2-3-5-14(13)18/h2-5,10H,6-9,11H2,1H3,(H,19,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 56731245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).