4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine

C22H26N6O — CID 171540071

IUPAC4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine
SMILESc1cc(N2CCC[C@@H](Nc3nccc(N4CCOCC4)n3)C2)c2cccnc2c1
InChIInChI=1S/C22H26N6O/c1-6-19-18(5-2-9-23-19)20(7-1)28-11-3-4-17(16-28)25-22-24-10-8-21(26-22)27-12-14-29-15-13-27/h1-2,5-10,17H,3-4,11-16H2,(H,24,25,26)/t17-/m1/s1
InChIKeyNWJNOGHWIRKPGB-QGZVFWFLSA-N
MW390.49 g/mol
LogP2.94
Rot. Bonds4

About 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine

4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 171540071) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID171540071
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine
SMILESc1cc(N2CCC[C@@H](Nc3nccc(N4CCOCC4)n3)C2)c2cccnc2c1
InChIInChI=1S/C22H26N6O/c1-6-19-18(5-2-9-23-19)20(7-1)28-11-3-4-17(16-28)25-22-24-10-8-21(26-22)27-12-14-29-15-13-27/h1-2,5-10,17H,3-4,11-16H2,(H,24,25,26)/t17-/m1/s1
InChIKeyNWJNOGHWIRKPGB-QGZVFWFLSA-N
XLogP2.94
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine (CID 171540071) is 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine is c1cc(N2CCC[C@@H](Nc3nccc(N4CCOCC4)n3)C2)c2cccnc2c1.
What is the InChIKey of 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is NWJNOGHWIRKPGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N6O/c1-6-19-18(5-2-9-23-19)20(7-1)28-11-3-4-17(16-28)25-22-24-10-8-21(26-22)27-12-14-29-15-13-27/h1-2,5-10,17H,3-4,11-16H2,(H,24,25,26)/t17-/m1/s1.
What are the key properties of 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine?
4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171540071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).