1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one

C17H23FN6O — CID 129007467

IUPAC1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
SMILESCCc1ncnc(NC2CCN(c3nccn(CC)c3=O)CC2)c1F
InChIInChI=1S/C17H23FN6O/c1-3-13-14(18)15(21-11-20-13)22-12-5-8-24(9-6-12)16-17(25)23(4-2)10-7-19-16/h7,10-12H,3-6,8-9H2,1-2H3,(H,20,21,22)
InChIKeyNGIDQTCSMNQYOB-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.84
Rot. Bonds5

About 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one

1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one (PubChem CID 129007467) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
PubChem CID129007467
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
SMILESCCc1ncnc(NC2CCN(c3nccn(CC)c3=O)CC2)c1F
InChIInChI=1S/C17H23FN6O/c1-3-13-14(18)15(21-11-20-13)22-12-5-8-24(9-6-12)16-17(25)23(4-2)10-7-19-16/h7,10-12H,3-6,8-9H2,1-2H3,(H,20,21,22)
InChIKeyNGIDQTCSMNQYOB-UHFFFAOYSA-N
XLogP1.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one with MolForge

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Related Compounds

1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
1-ethyl-3-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)piperidin-1-yl]pyrazin-2-one
CID 127974322
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 75509073
4-ethyl-N-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]benzamide
CID 129000920
6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
CID 133418990
4-(4-ethyl-3-oxopyrazin-2-yl)-N-methylpiperazine-1-sulfonamide
CID 154736074
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976255
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976284
N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045628
3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 128976328

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one (CID 129007467) is 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one is CCc1ncnc(NC2CCN(c3nccn(CC)c3=O)CC2)c1F.
What is the InChIKey of 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is NGIDQTCSMNQYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-3-13-14(18)15(21-11-20-13)22-12-5-8-24(9-6-12)16-17(25)23(4-2)10-7-19-16/h7,10-12H,3-6,8-9H2,1-2H3,(H,20,21,22).
What are the key properties of 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 346.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 129007467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).