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

C21H20N8O — CID 23630332

IUPACN-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H20N8O/c22-20-24-11-15(12-25-20)18-10-19(28-21(27-18)29-5-7-30-8-6-29)26-16-9-14-3-1-2-4-17(14)23-13-16/h1-4,9-13H,5-8H2,(H2,22,24,25)(H,26,27,28)
InChIKeyLICCCQJZOPRJSR-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.64
Rot. Bonds4

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

N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 23630332) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID23630332
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H20N8O/c22-20-24-11-15(12-25-20)18-10-19(28-21(27-18)29-5-7-30-8-6-29)26-16-9-14-3-1-2-4-17(14)23-13-16/h1-4,9-13H,5-8H2,(H2,22,24,25)(H,26,27,28)
InChIKeyLICCCQJZOPRJSR-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

Analyze N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine with MolForge

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Related Compounds

Abt-702
CID 1973
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
Sovleplenib
CID 71113742
4-N-(3-bromophenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328360
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
4-Anilino quinazoline deriv. 18
CID 5328017

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 23630332) is N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is LICCCQJZOPRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-20-24-11-15(12-25-20)18-10-19(28-21(27-18)29-5-7-30-8-6-29)26-16-9-14-3-1-2-4-17(14)23-13-16/h1-4,9-13H,5-8H2,(H2,22,24,25)(H,26,27,28).
What are the key properties of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-(2-aminopyrimidin-5-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-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 23630332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).