5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine

C18H22N6O2 — CID 118000035

IUPAC5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1
InChIInChI=1S/C18H22N6O2/c19-15-2-1-12(10-20-15)16-14-9-13-11-26-8-5-24(13)17(14)22-18(21-16)23-3-6-25-7-4-23/h1-2,10,13H,3-9,11H2,(H2,19,20)/t13-/m0/s1
InChIKeyBZNSXRRFSXPCLY-ZDUSSCGKSA-N
MW354.41 g/mol
LogP0.72
Rot. Bonds2

About 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine

5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine (PubChem CID 118000035) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine
PubChem CID118000035
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1
InChIInChI=1S/C18H22N6O2/c19-15-2-1-12(10-20-15)16-14-9-13-11-26-8-5-24(13)17(14)22-18(21-16)23-3-6-25-7-4-23/h1-2,10,13H,3-9,11H2,(H2,19,20)/t13-/m0/s1
InChIKeyBZNSXRRFSXPCLY-ZDUSSCGKSA-N
XLogP0.72
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine with MolForge

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Related Compounds

Buparlisib
CID 16654980
1-(4-(4-(3-Oxa-8-azabicyclo(3.2.1)octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46947264
Pqr620
CID 121334520
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
5-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-amine
CID 24889937
6-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-3-amine
CID 24890804
7-(6-Morpholin-4-yl-pyridin-3-yl)-5-(tetrahydro-pyran-4-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381587
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 46202650
5-(2-morpholino-6-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53318782

Frequently Asked Questions

What is the IUPAC name of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine?
The IUPAC name of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine (CID 118000035) is 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine.
What is the SMILES notation for 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine?
The canonical SMILES for 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine is Nc1ccc(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1.
What is the InChIKey of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine?
The InChIKey is BZNSXRRFSXPCLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-15-2-1-12(10-20-15)16-14-9-13-11-26-8-5-24(13)17(14)22-18(21-16)23-3-6-25-7-4-23/h1-2,10,13H,3-9,11H2,(H2,19,20)/t13-/m0/s1.
What are the key properties of 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine?
5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine has a molecular weight of 354.41 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]pyridin-2-amine is sourced from PubChem (CID 118000035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).