6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine

C16H16F2N4O — CID 78122354

IUPAC6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)N=C(N)COC1C(F)F
InChIInChI=1S/C16H16F2N4O/c1-16(14(15(17)18)23-8-13(19)22-16)12-4-2-3-10(5-12)11-6-20-9-21-7-11/h2-7,9,14-15H,8H2,1H3,(H2,19,22)
InChIKeyIFWNTWALBBGXLW-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.38
Rot. Bonds3

About 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine

6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 78122354) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID78122354
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)N=C(N)COC1C(F)F
InChIInChI=1S/C16H16F2N4O/c1-16(14(15(17)18)23-8-13(19)22-16)12-4-2-3-10(5-12)11-6-20-9-21-7-11/h2-7,9,14-15H,8H2,1H3,(H2,19,22)
InChIKeyIFWNTWALBBGXLW-UHFFFAOYSA-N
XLogP2.38
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 78122354) is 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine is CC1(c2cccc(-c3cncnc3)c2)N=C(N)COC1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is IFWNTWALBBGXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-16(14(15(17)18)23-8-13(19)22-16)12-4-2-3-10(5-12)11-6-20-9-21-7-11/h2-7,9,14-15H,8H2,1H3,(H2,19,22).
What are the key properties of 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 318.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 78122354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).