7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

C23H22N8 — CID 155534652

IUPAC7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ncc(-c2ccc3c(Nc4cnccn4)ccnc3c2)cn1
InChIInChI=1S/C23H22N8/c1-30-13-18-9-17(30)14-31(18)23-27-10-16(11-28-23)15-2-3-19-20(4-5-25-21(19)8-15)29-22-12-24-6-7-26-22/h2-8,10-12,17-18H,9,13-14H2,1H3,(H,25,26,29)/t17-,18-/m1/s1
InChIKeyDJTNWDPUBNJDLM-QZTJIDSGSA-N
MW410.49 g/mol
LogP3.12
Rot. Bonds4

About 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155534652) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155534652
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ncc(-c2ccc3c(Nc4cnccn4)ccnc3c2)cn1
InChIInChI=1S/C23H22N8/c1-30-13-18-9-17(30)14-31(18)23-27-10-16(11-28-23)15-2-3-19-20(4-5-25-21(19)8-15)29-22-12-24-6-7-26-22/h2-8,10-12,17-18H,9,13-14H2,1H3,(H,25,26,29)/t17-,18-/m1/s1
InChIKeyDJTNWDPUBNJDLM-QZTJIDSGSA-N
XLogP3.12
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155534652) is 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CN1C[C@H]2C[C@@H]1CN2c1ncc(-c2ccc3c(Nc4cnccn4)ccnc3c2)cn1.
What is the InChIKey of 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is DJTNWDPUBNJDLM-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H22N8/c1-30-13-18-9-17(30)14-31(18)23-27-10-16(11-28-23)15-2-3-19-20(4-5-25-21(19)8-15)29-22-12-24-6-7-26-22/h2-8,10-12,17-18H,9,13-14H2,1H3,(H,25,26,29)/t17-,18-/m1/s1.
What are the key properties of 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 410.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155534652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).