5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine

C16H15FN6O — CID 118740977

IUPAC5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine
SMILESFc1cnc(NCC2Cn3nnc(-c4ccccc4)c3CO2)nc1
InChIInChI=1S/C16H15FN6O/c17-12-6-18-16(19-7-12)20-8-13-9-23-14(10-24-13)15(21-22-23)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,18,19,20)
InChIKeyHTPXMOLHMIGXKS-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.89
Rot. Bonds4

About 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine

5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine (PubChem CID 118740977) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine
PubChem CID118740977
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine
SMILESFc1cnc(NCC2Cn3nnc(-c4ccccc4)c3CO2)nc1
InChIInChI=1S/C16H15FN6O/c17-12-6-18-16(19-7-12)20-8-13-9-23-14(10-24-13)15(21-22-23)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,18,19,20)
InChIKeyHTPXMOLHMIGXKS-UHFFFAOYSA-N
XLogP1.89
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

(2R,3S,5R)-5-(2-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 72188905
(2R,3S,5R)-5-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 16725327
(2R,6R)-10-(2-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 168287632
1-[[(3S)-3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168273063
US10071988, Example 459
CID 130302241
US10071988, Example 581
CID 130309849
5-[2-(benzyloxy)ethyl]-4-(1,5-dimethyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 56703501
5-(4-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
CID 66509687
5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
CID 66509696
1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 75367514
1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 118739036
3-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739395

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine (CID 118740977) is 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine is Fc1cnc(NCC2Cn3nnc(-c4ccccc4)c3CO2)nc1.
What is the InChIKey of 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine?
The InChIKey is HTPXMOLHMIGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c17-12-6-18-16(19-7-12)20-8-13-9-23-14(10-24-13)15(21-22-23)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,18,19,20).
What are the key properties of 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine has a molecular weight of 326.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 118740977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).