7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

C25H28N8 — CID 155517090

IUPAC7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCCN1CCCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C25H28N8/c1-2-10-32-11-3-12-33(14-13-32)25-29-16-20(17-30-25)19-4-5-21-22(6-7-27-23(21)15-19)31-24-18-26-8-9-28-24/h4-9,15-18H,2-3,10-14H2,1H3,(H,27,28,31)
InChIKeyXBFGPIAOEMLPBW-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.15
Rot. Bonds6

About 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155517090) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155517090
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCCN1CCCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C25H28N8/c1-2-10-32-11-3-12-33(14-13-32)25-29-16-20(17-30-25)19-4-5-21-22(6-7-27-23(21)15-19)31-24-18-26-8-9-28-24/h4-9,15-18H,2-3,10-14H2,1H3,(H,27,28,31)
InChIKeyXBFGPIAOEMLPBW-UHFFFAOYSA-N
XLogP4.15
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine with MolForge

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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
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Fanotaprim
CID 134812633
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Mln0905
CID 46235922
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

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155517090) is 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CCCN1CCCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.
What is the InChIKey of 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is XBFGPIAOEMLPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-2-10-32-11-3-12-33(14-13-32)25-29-16-20(17-30-25)19-4-5-21-22(6-7-27-23(21)15-19)31-24-18-26-8-9-28-24/h4-9,15-18H,2-3,10-14H2,1H3,(H,27,28,31).
What are the key properties of 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 440.56 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155517090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).