4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine

C18H16N6O — CID 90656756

IUPAC4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine
SMILESCCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C18H16N6O/c1-2-25-17-10-20-9-16(23-17)11-3-4-14-12(7-11)13(8-22-14)15-5-6-21-18(19)24-15/h3-10,22H,2H2,1H3,(H2,19,21,24)
InChIKeyORQXBDDCEOOMQY-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.06
Rot. Bonds4

About 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine

4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine (PubChem CID 90656756) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine
PubChem CID90656756
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine
SMILESCCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1
InChIInChI=1S/C18H16N6O/c1-2-25-17-10-20-9-16(23-17)11-3-4-14-12(7-11)13(8-22-14)15-5-6-21-18(19)24-15/h3-10,22H,2H2,1H3,(H2,19,21,24)
InChIKeyORQXBDDCEOOMQY-UHFFFAOYSA-N
XLogP3.06
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 133081
CID 133081
CID 177836
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CID 46225260
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CID 67959860
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CID 5257090
CID 5257090
CID 118720886
CID 118720886
CID 909943
CID 909943
CID 1945930
CID 1945930
CID 944640
CID 944640
CID 5133615
CID 5133615
CID 44395908
CID 44395908
CID 42635502
CID 42635502

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine (CID 90656756) is 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine is CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1.
What is the InChIKey of 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine?
The InChIKey is ORQXBDDCEOOMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-25-17-10-20-9-16(23-17)11-3-4-14-12(7-11)13(8-22-14)15-5-6-21-18(19)24-15/h3-10,22H,2H2,1H3,(H2,19,21,24).
What are the key properties of 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine?
4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine has a molecular weight of 332.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 90656756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).