N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine

C21H19N7O — CID 53324066

IUPACN-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine
SMILESc1ccc2ncc(Nc3cc(-c4cncnc4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C21H19N7O/c1-2-4-18-15(3-1)9-17(13-24-18)25-20-10-19(16-11-22-14-23-12-16)26-21(27-20)28-5-7-29-8-6-28/h1-4,9-14H,5-8H2,(H,25,26,27)
InChIKeyGPIDKJCWNJVPJO-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.06
Rot. Bonds4

About N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine

N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine (PubChem CID 53324066) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine
PubChem CID53324066
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine
SMILESc1ccc2ncc(Nc3cc(-c4cncnc4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C21H19N7O/c1-2-4-18-15(3-1)9-17(13-24-18)25-20-10-19(16-11-22-14-23-12-16)26-21(27-20)28-5-7-29-8-6-28/h1-4,9-14H,5-8H2,(H,25,26,27)
InChIKeyGPIDKJCWNJVPJO-UHFFFAOYSA-N
XLogP3.06
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine?
The IUPAC name of N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine (CID 53324066) is N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine.
What is the SMILES notation for N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine?
The canonical SMILES for N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine is c1ccc2ncc(Nc3cc(-c4cncnc4)nc(N4CCOCC4)n3)cc2c1.
What is the InChIKey of N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine?
The InChIKey is GPIDKJCWNJVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-2-4-18-15(3-1)9-17(13-24-18)25-20-10-19(16-11-22-14-23-12-16)26-21(27-20)28-5-7-29-8-6-28/h1-4,9-14H,5-8H2,(H,25,26,27).
What are the key properties of N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine?
N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine has a molecular weight of 385.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-6-pyrimidin-5-ylpyrimidin-4-yl)quinolin-3-amine is sourced from PubChem (CID 53324066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).