(5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

C10H13F3N4O — CID 118936401

IUPAC(5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=CCC(F)([C@@]2(C(F)F)COCC(N)=N2)C=N1
InChIInChI=1S/C10H13F3N4O/c11-8(12)10(5-18-3-7(15)17-10)9(13)2-1-6(14)16-4-9/h1,4,8H,2-3,5,14H2,(H2,15,17)/t9?,10-/m0/s1
InChIKeyDIGUEAMYMMNSJG-AXDSSHIGSA-N
MW262.23 g/mol
LogP0.36
Rot. Bonds2

About (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 118936401) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID118936401
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name(5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=CCC(F)([C@@]2(C(F)F)COCC(N)=N2)C=N1
InChIInChI=1S/C10H13F3N4O/c11-8(12)10(5-18-3-7(15)17-10)9(13)2-1-6(14)16-4-9/h1,4,8H,2-3,5,14H2,(H2,15,17)/t9?,10-/m0/s1
InChIKeyDIGUEAMYMMNSJG-AXDSSHIGSA-N
XLogP0.36
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 118936401) is (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is NC1=CCC(F)([C@@]2(C(F)F)COCC(N)=N2)C=N1.
What is the InChIKey of (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is DIGUEAMYMMNSJG-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-8(12)10(5-18-3-7(15)17-10)9(13)2-1-6(14)16-4-9/h1,4,8H,2-3,5,14H2,(H2,15,17)/t9?,10-/m0/s1.
What are the key properties of (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 262.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(6-amino-3-fluoro-4H-pyridin-3-yl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 118936401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).