3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one

C17H24N6O2 — CID 75509073

IUPAC3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCOc1cc(NC2CCN(c3nccn(CC)c3=O)CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-3-22-10-7-18-16(17(22)24)23-8-5-13(6-9-23)21-14-11-15(25-4-2)20-12-19-14/h7,10-13H,3-6,8-9H2,1-2H3,(H,19,20,21)
InChIKeyBZFOYAOIWRHEJB-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.53
Rot. Bonds6

About 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one

3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one (PubChem CID 75509073) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
PubChem CID75509073
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCOc1cc(NC2CCN(c3nccn(CC)c3=O)CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-3-22-10-7-18-16(17(22)24)23-8-5-13(6-9-23)21-14-11-15(25-4-2)20-12-19-14/h7,10-13H,3-6,8-9H2,1-2H3,(H,19,20,21)
InChIKeyBZFOYAOIWRHEJB-UHFFFAOYSA-N
XLogP1.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
CID 129007467
1-ethyl-3-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)piperidin-1-yl]pyrazin-2-one
CID 127974322
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 128976328
6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 133490993
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 136531950
1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976284
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
4-ethyl-N-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]benzamide
CID 129000920

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one (CID 75509073) is 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one is CCOc1cc(NC2CCN(c3nccn(CC)c3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one?
The InChIKey is BZFOYAOIWRHEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-22-10-7-18-16(17(22)24)23-8-5-13(6-9-23)21-14-11-15(25-4-2)20-12-19-14/h7,10-13H,3-6,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one?
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one has a molecular weight of 344.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one is sourced from PubChem (CID 75509073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).