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

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

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Related Compounds

N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 10428560
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
4-(azepan-1-yl)-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 23086015
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994408
5-pyrrolidin-1-ylquinoline
CID 118731129
2-quinolin-5-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915081
N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996210
N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995172
N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996190
4-(1-quinolin-4-ylazetidin-3-yl)morpholine
CID 175649050
5-piperidin-1-ylquinoline
CID 12887802

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).