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

C17H19FN4O2 — CID 109343472

IUPACN-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H19FN4O2/c18-14-4-2-1-3-13(14)5-6-19-17(23)15-11-16(21-12-20-15)22-7-9-24-10-8-22/h1-4,11-12H,5-10H2,(H,19,23)
InChIKeyLPQIEOKZIXDPRE-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.42
Rot. Bonds5

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

N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109343472) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109343472
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H19FN4O2/c18-14-4-2-1-3-13(14)5-6-19-17(23)15-11-16(21-12-20-15)22-7-9-24-10-8-22/h1-4,11-12H,5-10H2,(H,19,23)
InChIKeyLPQIEOKZIXDPRE-UHFFFAOYSA-N
XLogP1.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109345270
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
N-[2-(2-fluorophenyl)ethyl]-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207606
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 91816437
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022
N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570418
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109343472) is N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCCc1ccccc1F)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is LPQIEOKZIXDPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-4-2-1-3-13(14)5-6-19-17(23)15-11-16(21-12-20-15)22-7-9-24-10-8-22/h1-4,11-12H,5-10H2,(H,19,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.42, 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-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109343472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).