(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine

C17H17F3N4O2 — CID 71550090

IUPAC(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine
SMILESCOc1cccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1
InChIInChI=1S/C17H17F3N4O2/c1-25-13-3-2-6-22-15(13)23-10-4-5-12(18)11(7-10)17(16(19)20)9-26-8-14(21)24-17/h2-7,16H,8-9H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1
InChIKeyXJJGBQFMBPQWRK-KRWDZBQOSA-N
MW366.34 g/mol
LogP2.82
Rot. Bonds5

About (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 71550090) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID71550090
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine
SMILESCOc1cccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1
InChIInChI=1S/C17H17F3N4O2/c1-25-13-3-2-6-22-15(13)23-10-4-5-12(18)11(7-10)17(16(19)20)9-26-8-14(21)24-17/h2-7,16H,8-9H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1
InChIKeyXJJGBQFMBPQWRK-KRWDZBQOSA-N
XLogP2.82
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine (CID 71550090) is (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine is COc1cccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1.
What is the InChIKey of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is XJJGBQFMBPQWRK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-25-13-3-2-6-22-15(13)23-10-4-5-12(18)11(7-10)17(16(19)20)9-26-8-14(21)24-17/h2-7,16H,8-9H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 366.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 71550090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).