N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

C21H20N8O — CID 53320104

IUPACN-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1cnc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H20N8O/c22-19-13-24-18(12-25-19)17-10-20(28-21(27-17)29-5-7-30-8-6-29)26-15-9-14-3-1-2-4-16(14)23-11-15/h1-4,9-13H,5-8H2,(H2,22,25)(H,26,27,28)
InChIKeyGTSVWFMEUUHFOQ-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.64
Rot. Bonds4

About N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 53320104) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID53320104
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1cnc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H20N8O/c22-19-13-24-18(12-25-19)17-10-20(28-21(27-17)29-5-7-30-8-6-29)26-15-9-14-3-1-2-4-16(14)23-11-15/h1-4,9-13H,5-8H2,(H2,22,25)(H,26,27,28)
InChIKeyGTSVWFMEUUHFOQ-UHFFFAOYSA-N
XLogP2.64
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 53320104) is N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is Nc1cnc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is GTSVWFMEUUHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-19-13-24-18(12-25-19)17-10-20(28-21(27-17)29-5-7-30-8-6-29)26-15-9-14-3-1-2-4-16(14)23-11-15/h1-4,9-13H,5-8H2,(H2,22,25)(H,26,27,28).
What are the key properties of N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine has a molecular weight of 400.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 53320104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).