7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine

C21H20N8 — CID 155527094

IUPAC7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine
SMILESc1cnc(Nc2ccnc3cc(-c4cnc(N5CCNCC5)nc4)ccc23)cn1
InChIInChI=1S/C21H20N8/c1-2-17-18(28-20-14-23-5-6-25-20)3-4-24-19(17)11-15(1)16-12-26-21(27-13-16)29-9-7-22-8-10-29/h1-6,11-14,22H,7-10H2,(H,24,25,28)
InChIKeyJDMRWHRTEFZEIE-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.63
Rot. Bonds4

About 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine

7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155527094) has the molecular formula C21H20N8 and a molecular weight of 384.45 g/mol. Its IUPAC name is 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155527094
Molecular FormulaC21H20N8
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine
SMILESc1cnc(Nc2ccnc3cc(-c4cnc(N5CCNCC5)nc4)ccc23)cn1
InChIInChI=1S/C21H20N8/c1-2-17-18(28-20-14-23-5-6-25-20)3-4-24-19(17)11-15(1)16-12-26-21(27-13-16)29-9-7-22-8-10-29/h1-6,11-14,22H,7-10H2,(H,24,25,28)
InChIKeyJDMRWHRTEFZEIE-UHFFFAOYSA-N
XLogP2.63
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Ngd-8243
CID 11247522
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
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
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine (CID 155527094) is 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine is c1cnc(Nc2ccnc3cc(-c4cnc(N5CCNCC5)nc4)ccc23)cn1.
What is the InChIKey of 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is JDMRWHRTEFZEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8/c1-2-17-18(28-20-14-23-5-6-25-20)3-4-24-19(17)11-15(1)16-12-26-21(27-13-16)29-9-7-22-8-10-29/h1-6,11-14,22H,7-10H2,(H,24,25,28).
What are the key properties of 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine?
7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 384.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperazin-1-ylpyrimidin-5-yl)-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155527094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).