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

C16H16F2N4O — CID 71586528

IUPAC(5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@]1(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)/t14?,16-/m1/s1
InChIKeyIFWNTWALBBGXLW-BZSJEYESSA-N
MW318.33 g/mol
LogP2.38
Rot. Bonds3

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

(5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 71586528) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID71586528
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name(5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@]1(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)/t14?,16-/m1/s1
InChIKeyIFWNTWALBBGXLW-BZSJEYESSA-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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Related Compounds

2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 53494150
5-Methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 54761047
(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 66683659
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72543978
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-fluoropyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72543979
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72547575
4-(2-Fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-1,9-dioxa-3-azaspiro[5.5]undec-2-en-2-amine
CID 89811604
4-{[2-(Methylthio)-5-pyrimidinyl]methyl}-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45169939
(4R,4aR,8aS)-8a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71277799
(5R)-5-(difluoromethyl)-5-[2-fluoro-5-(pyrimidin-2-ylamino)phenyl]-2,6-dihydro-1,4-oxazin-3-amine
CID 71550091
(3aS,7aR)-7a-(3-pyrimidin-5-ylphenyl)-1,2,3a,4,6,7-hexahydropyrano[4,3-d][1,3]oxazol-2-amine
CID 71710913
4-[(2-Ethyl-5-pyrimidinyl)methyl]-2-(3-fluorobenzyl)morpholine
CID 45197160

Frequently Asked Questions

What is the IUPAC name of (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 71586528) is (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine is C[C@]1(c2cccc(-c3cncnc3)c2)N=C(N)COC1C(F)F.
What is the InChIKey of (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is IFWNTWALBBGXLW-BZSJEYESSA-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)/t14?,16-/m1/s1.
What are the key properties of (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-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 (5R)-6-(difluoromethyl)-5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 71586528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).