4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C24H25FN4O3 — CID 59421229

IUPAC4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C24H25FN4O3/c1-31-21-9-5-2-6-17(21)10-11-26-23(30)19-16-27-24(29-12-14-32-15-13-29)28-22(19)18-7-3-4-8-20(18)25/h2-9,16H,10-15H2,1H3,(H,26,30)
InChIKeyIXCSUGPCNWRFCS-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.10
Rot. Bonds7

About 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 59421229) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID59421229
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C24H25FN4O3/c1-31-21-9-5-2-6-17(21)10-11-26-23(30)19-16-27-24(29-12-14-32-15-13-29)28-22(19)18-7-3-4-8-20(18)25/h2-9,16H,10-15H2,1H3,(H,26,30)
InChIKeyIXCSUGPCNWRFCS-UHFFFAOYSA-N
XLogP3.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
CID 11547457
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11648323
4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 59421325
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308616
2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011453
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 54174725
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421141
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11620083

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 59421229) is 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is COc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is IXCSUGPCNWRFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-31-21-9-5-2-6-17(21)10-11-26-23(30)19-16-27-24(29-12-14-32-15-13-29)28-22(19)18-7-3-4-8-20(18)25/h2-9,16H,10-15H2,1H3,(H,26,30).
What are the key properties of 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).