5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one

C18H16N6O — CID 137423652

IUPAC5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one
SMILESCCn1ccc2cc(-c3ncc(N)nc3-c3cnc[nH]c3=O)ccc21
InChIInChI=1S/C18H16N6O/c1-2-24-6-5-11-7-12(3-4-14(11)24)16-17(23-15(19)9-21-16)13-8-20-10-22-18(13)25/h3-10H,2H2,1H3,(H2,19,23)(H,20,22,25)
InChIKeyBOEVZQZKJSXIBZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.45
Rot. Bonds3

About 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one

5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137423652) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one
PubChem CID137423652
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one
SMILESCCn1ccc2cc(-c3ncc(N)nc3-c3cnc[nH]c3=O)ccc21
InChIInChI=1S/C18H16N6O/c1-2-24-6-5-11-7-12(3-4-14(11)24)16-17(23-15(19)9-21-16)13-8-20-10-22-18(13)25/h3-10H,2H2,1H3,(H2,19,23)(H,20,22,25)
InChIKeyBOEVZQZKJSXIBZ-UHFFFAOYSA-N
XLogP2.45
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-methylpropyl)indol-5-yl]pyridin-2-amine
CID 66749621
8-amino-6-(2-aminopyrimidin-5-yl)-2,7-diethylisoquinolin-1-one
CID 123586103
6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine
CID 137431412
2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline
CID 122690853
5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 106517913
3-[3-amino-4-cyclohexyloxy-5-(1-ethylindol-5-yl)phenyl]propanoic acid
CID 22559279
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765
5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 103695300
5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 122358498
(1-ethylindol-5-yl) acetate
CID 57170525
5-(3-acetylphenyl)-1H-pyrimidin-6-one
CID 122200465
5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 69103237

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one (CID 137423652) is 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one is CCn1ccc2cc(-c3ncc(N)nc3-c3cnc[nH]c3=O)ccc21.
What is the InChIKey of 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is BOEVZQZKJSXIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-24-6-5-11-7-12(3-4-14(11)24)16-17(23-15(19)9-21-16)13-8-20-10-22-18(13)25/h3-10H,2H2,1H3,(H2,19,23)(H,20,22,25).
What are the key properties of 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one?
5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 332.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-3-(1-ethylindol-5-yl)pyrazin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137423652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).