1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone

C19H24FN5O2 — CID 122351688

IUPAC1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESCCNc1cc(N2CCN(C(=O)COc3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C19H24FN5O2/c1-3-21-17-12-18(23-14(2)22-17)24-8-10-25(11-9-24)19(26)13-27-16-7-5-4-6-15(16)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,22,23)
InChIKeyIOQSVBUZRSYUSS-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.08
Rot. Bonds6

About 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone

1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 122351688) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID122351688
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESCCNc1cc(N2CCN(C(=O)COc3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C19H24FN5O2/c1-3-21-17-12-18(23-14(2)22-17)24-8-10-25(11-9-24)19(26)13-27-16-7-5-4-6-15(16)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,22,23)
InChIKeyIOQSVBUZRSYUSS-UHFFFAOYSA-N
XLogP2.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenoxy)-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122339473
(E)-1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 122351803
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 122350758
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 122351062
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 122351609
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126855116
(E)-3-(2,5-difluorophenyl)-1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122351801
2-(2-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344765
2-(2-fluorophenoxy)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 122346354
7-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 46321178

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone (CID 122351688) is 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone is CCNc1cc(N2CCN(C(=O)COc3ccccc3F)CC2)nc(C)n1.
What is the InChIKey of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is IOQSVBUZRSYUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-3-21-17-12-18(23-14(2)22-17)24-8-10-25(11-9-24)19(26)13-27-16-7-5-4-6-15(16)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 373.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 122351688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).