[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine

C15H15F3N8O — CID 170724597

IUPAC[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
SMILESNNc1nc(N2CCOCC2)nc2c1ncn2-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)10-7-9(1-2-20-10)26-8-21-11-12(24-19)22-14(23-13(11)26)25-3-5-27-6-4-25/h1-2,7-8H,3-6,19H2,(H,22,23,24)
InChIKeyTVNFVSASDVMOSU-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.35
Rot. Bonds3

About [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine

[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine (PubChem CID 170724597) has the molecular formula C15H15F3N8O and a molecular weight of 380.33 g/mol. Its IUPAC name is [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine.

Molecular Properties

Compound Name[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
PubChem CID170724597
Molecular FormulaC15H15F3N8O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC Name[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
SMILESNNc1nc(N2CCOCC2)nc2c1ncn2-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)10-7-9(1-2-20-10)26-8-21-11-12(24-19)22-14(23-13(11)26)25-3-5-27-6-4-25/h1-2,7-8H,3-6,19H2,(H,22,23,24)
InChIKeyTVNFVSASDVMOSU-UHFFFAOYSA-N
XLogP1.35
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
CID 58507712
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 170724712
9-(3-methylphenyl)-2-morpholin-4-yl-N-(naphthalen-1-ylmethyl)purin-6-amine
CID 118410510
(6-morpholin-4-yl-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 170724777
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
9-(4-aminophenyl)-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-ylpurin-6-amine
CID 78333447
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
CID 53245507
N-cyclopropyl-2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117079689
9-(4-chlorophenyl)-N-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724614
4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
CID 170724540

Frequently Asked Questions

What is the IUPAC name of [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
The IUPAC name of [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine (CID 170724597) is [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine.
What is the SMILES notation for [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
The canonical SMILES for [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine is NNc1nc(N2CCOCC2)nc2c1ncn2-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
The InChIKey is TVNFVSASDVMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8O/c16-15(17,18)10-7-9(1-2-20-10)26-8-21-11-12(24-19)22-14(23-13(11)26)25-3-5-27-6-4-25/h1-2,7-8H,3-6,19H2,(H,22,23,24).
What are the key properties of [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine has a molecular weight of 380.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine is sourced from PubChem (CID 170724597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).