N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine

C19H27N7O — CID 171359045

IUPACN-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine
SMILESc1cnc(-c2ccnc(N[C@H]3CCCN(CCN4CCOCC4)C3)n2)cn1
InChIInChI=1S/C19H27N7O/c1-2-16(15-26(7-1)9-8-25-10-12-27-13-11-25)23-19-22-4-3-17(24-19)18-14-20-5-6-21-18/h3-6,14,16H,1-2,7-13,15H2,(H,22,23,24)/t16-/m0/s1
InChIKeyTYNLYLFZWPLSCJ-INIZCTEOSA-N
MW369.47 g/mol
LogP1.14
Rot. Bonds6

About N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine

N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 171359045) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine
PubChem CID171359045
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine
SMILESc1cnc(-c2ccnc(N[C@H]3CCCN(CCN4CCOCC4)C3)n2)cn1
InChIInChI=1S/C19H27N7O/c1-2-16(15-26(7-1)9-8-25-10-12-27-13-11-25)23-19-22-4-3-17(24-19)18-14-20-5-6-21-18/h3-6,14,16H,1-2,7-13,15H2,(H,22,23,24)/t16-/m0/s1
InChIKeyTYNLYLFZWPLSCJ-INIZCTEOSA-N
XLogP1.14
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-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-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine (CID 171359045) is N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine is c1cnc(-c2ccnc(N[C@H]3CCCN(CCN4CCOCC4)C3)n2)cn1.
What is the InChIKey of N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is TYNLYLFZWPLSCJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N7O/c1-2-16(15-26(7-1)9-8-25-10-12-27-13-11-25)23-19-22-4-3-17(24-19)18-14-20-5-6-21-18/h3-6,14,16H,1-2,7-13,15H2,(H,22,23,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-4-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 171359045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).