2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine

C20H25N7O — CID 117079282

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine
SMILESc1ccc(Nc2nc(N3CCC(N4CCOCC4)CC3)nc3nc[nH]c23)cc1
InChIInChI=1S/C20H25N7O/c1-2-4-15(5-3-1)23-19-17-18(22-14-21-17)24-20(25-19)27-8-6-16(7-9-27)26-10-12-28-13-11-26/h1-5,14,16H,6-13H2,(H2,21,22,23,24,25)
InChIKeyWBZOEAJTIDLANU-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine

2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine (PubChem CID 117079282) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine
PubChem CID117079282
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine
SMILESc1ccc(Nc2nc(N3CCC(N4CCOCC4)CC3)nc3nc[nH]c23)cc1
InChIInChI=1S/C20H25N7O/c1-2-4-15(5-3-1)23-19-17-18(22-14-21-17)24-20(25-19)27-8-6-16(7-9-27)26-10-12-28-13-11-26/h1-5,14,16H,6-13H2,(H2,21,22,23,24,25)
InChIKeyWBZOEAJTIDLANU-UHFFFAOYSA-N
XLogP2.40
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine
CID 154843471
2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
CID 117094178
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-7H-purin-6-amine;dihydrochloride
CID 166304610
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
CID 87725250
N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117082534
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 117081727
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 685113
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
CID 22149693
N-(3-butyl-2-methylbenzimidazol-5-yl)-2-morpholin-4-yl-7H-purin-6-amine
CID 155814812

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine (CID 117079282) is 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine is c1ccc(Nc2nc(N3CCC(N4CCOCC4)CC3)nc3nc[nH]c23)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine?
The InChIKey is WBZOEAJTIDLANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-2-4-15(5-3-1)23-19-17-18(22-14-21-17)24-20(25-19)27-8-6-16(7-9-27)26-10-12-28-13-11-26/h1-5,14,16H,6-13H2,(H2,21,22,23,24,25).
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine?
2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine has a molecular weight of 379.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine is sourced from PubChem (CID 117079282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).