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

C23H24F2N6O2 — CID 118050047

IUPAC8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3cc(F)cc(F)c3)CCO4)CC2)ccn1
InChIInChI=1S/C23H24F2N6O2/c1-32-21-13-18(2-5-26-21)30-6-3-17(4-7-30)28-23-27-14-20-22(29-23)31(8-9-33-20)19-11-15(24)10-16(25)12-19/h2,5,10-14,17H,3-4,6-9H2,1H3,(H,27,28,29)
InChIKeyMVHNEYBJKHGPPL-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.77
Rot. Bonds5

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

8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118050047) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118050047
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3cc(F)cc(F)c3)CCO4)CC2)ccn1
InChIInChI=1S/C23H24F2N6O2/c1-32-21-13-18(2-5-26-21)30-6-3-17(4-7-30)28-23-27-14-20-22(29-23)31(8-9-33-20)19-11-15(24)10-16(25)12-19/h2,5,10-14,17H,3-4,6-9H2,1H3,(H,27,28,29)
InChIKeyMVHNEYBJKHGPPL-UHFFFAOYSA-N
XLogP3.77
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118050047) is 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(N2CCC(Nc3ncc4c(n3)N(c3cc(F)cc(F)c3)CCO4)CC2)ccn1.
What is the InChIKey of 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is MVHNEYBJKHGPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-32-21-13-18(2-5-26-21)30-6-3-17(4-7-30)28-23-27-14-20-22(29-23)31(8-9-33-20)19-11-15(24)10-16(25)12-19/h2,5,10-14,17H,3-4,6-9H2,1H3,(H,27,28,29).
What are the key properties of 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 454.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118050047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).