7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C24H23F5N6O — CID 118372944

IUPAC7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCN1c2nc(NC3CCN(c4ccnc(C(F)(F)F)c4)CC3)ncc2OCC1c1cc(F)cc(F)c1
InChIInChI=1S/C24H23F5N6O/c1-34-19(14-8-15(25)10-16(26)9-14)13-36-20-12-31-23(33-22(20)34)32-17-3-6-35(7-4-17)18-2-5-30-21(11-18)24(27,28)29/h2,5,8-12,17,19H,3-4,6-7,13H2,1H3,(H,31,32,33)
InChIKeyJJLYDTFLVKLSSV-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.82
Rot. Bonds4

About 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118372944) has the molecular formula C24H23F5N6O and a molecular weight of 506.48 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118372944
Molecular FormulaC24H23F5N6O
Molecular Weight506.48 g/mol
Exact Mass506.19
IUPAC Name7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCN1c2nc(NC3CCN(c4ccnc(C(F)(F)F)c4)CC3)ncc2OCC1c1cc(F)cc(F)c1
InChIInChI=1S/C24H23F5N6O/c1-34-19(14-8-15(25)10-16(26)9-14)13-36-20-12-31-23(33-22(20)34)32-17-3-6-35(7-4-17)18-2-5-30-21(11-18)24(27,28)29/h2,5,8-12,17,19H,3-4,6-7,13H2,1H3,(H,31,32,33)
InChIKeyJJLYDTFLVKLSSV-UHFFFAOYSA-N
XLogP4.82
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118372943
7-(3,5-difluorophenyl)-N-[5-methoxy-6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246102
N-[1-[2-(cyclobutylmethoxy)-4-pyridinyl]piperidin-4-yl]-8-methyl-7-(oxan-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144921627
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 118366513
8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118054994
7-(3,5-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118238186
7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118245962
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
5-[[7-(3,5-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 118237949

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118372944) is 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is CN1c2nc(NC3CCN(c4ccnc(C(F)(F)F)c4)CC3)ncc2OCC1c1cc(F)cc(F)c1.
What is the InChIKey of 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is JJLYDTFLVKLSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N6O/c1-34-19(14-8-15(25)10-16(26)9-14)13-36-20-12-31-23(33-22(20)34)32-17-3-6-35(7-4-17)18-2-5-30-21(11-18)24(27,28)29/h2,5,8-12,17,19H,3-4,6-7,13H2,1H3,(H,31,32,33).
What are the key properties of 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 506.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118372944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).