N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine

C22H21N7O — CID 124996474

IUPACN-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
SMILESc1cnc(Nc2cncc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)nc1
InChIInChI=1S/C22H21N7O/c1-4-16(17-5-2-7-24-18(17)6-1)14-29-10-11-30-20(15-29)19-12-23-13-21(27-19)28-22-25-8-3-9-26-22/h1-9,12-13,20H,10-11,14-15H2,(H,25,26,27,28)/t20-/m0/s1
InChIKeyQTGOKTNERRWRFS-FQEVSTJZSA-N
MW399.46 g/mol
LogP3.13
Rot. Bonds5

About N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine

N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine (PubChem CID 124996474) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
PubChem CID124996474
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
SMILESc1cnc(Nc2cncc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)nc1
InChIInChI=1S/C22H21N7O/c1-4-16(17-5-2-7-24-18(17)6-1)14-29-10-11-30-20(15-29)19-12-23-13-21(27-19)28-22-25-8-3-9-26-22/h1-9,12-13,20H,10-11,14-15H2,(H,25,26,27,28)/t20-/m0/s1
InChIKeyQTGOKTNERRWRFS-FQEVSTJZSA-N
XLogP3.13
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine?
The IUPAC name of N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine (CID 124996474) is N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine is c1cnc(Nc2cncc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine?
The InChIKey is QTGOKTNERRWRFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21N7O/c1-4-16(17-5-2-7-24-18(17)6-1)14-29-10-11-30-20(15-29)19-12-23-13-21(27-19)28-22-25-8-3-9-26-22/h1-9,12-13,20H,10-11,14-15H2,(H,25,26,27,28)/t20-/m0/s1.
What are the key properties of N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine?
N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine has a molecular weight of 399.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 124996474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).