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

C18H21FN4O2 — CID 109324210

IUPACN-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-12-16(22-18(21-13)23-8-10-25-11-9-23)17(24)20-7-6-14-4-2-3-5-15(14)19/h2-5,12H,6-11H2,1H3,(H,20,24)
InChIKeyKPYIWHGNMLCUGF-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.73
Rot. Bonds5

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

N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109324210) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109324210
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-12-16(22-18(21-13)23-8-10-25-11-9-23)17(24)20-7-6-14-4-2-3-5-15(14)19/h2-5,12H,6-11H2,1H3,(H,20,24)
InChIKeyKPYIWHGNMLCUGF-UHFFFAOYSA-N
XLogP1.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731245
2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330747
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330744
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343472
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324383
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 109324210) is N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccccc2F)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is KPYIWHGNMLCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-12-16(22-18(21-13)23-8-10-25-11-9-23)17(24)20-7-6-14-4-2-3-5-15(14)19/h2-5,12H,6-11H2,1H3,(H,20,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).