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

C23H24F2N6O2 — CID 118050100

IUPAC8-(2,4-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(c3ccc(F)cc3F)CCO4)CC2)ccn1
InChIInChI=1S/C23H24F2N6O2/c1-32-21-13-17(4-7-26-21)30-8-5-16(6-9-30)28-23-27-14-20-22(29-23)31(10-11-33-20)19-3-2-15(24)12-18(19)25/h2-4,7,12-14,16H,5-6,8-11H2,1H3,(H,27,28,29)
InChIKeyLJIUZNSCZLHTFT-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.77
Rot. Bonds5

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

8-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118050100) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 8-(2,4-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-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118050100
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name8-(2,4-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(c3ccc(F)cc3F)CCO4)CC2)ccn1
InChIInChI=1S/C23H24F2N6O2/c1-32-21-13-17(4-7-26-21)30-8-5-16(6-9-30)28-23-27-14-20-22(29-23)31(10-11-33-20)19-3-2-15(24)12-18(19)25/h2-4,7,12-14,16H,5-6,8-11H2,1H3,(H,27,28,29)
InChIKeyLJIUZNSCZLHTFT-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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-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-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118050100) is 8-(2,4-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-(2,4-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-(2,4-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(c3ccc(F)cc3F)CCO4)CC2)ccn1.
What is the InChIKey of 8-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is LJIUZNSCZLHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-32-21-13-17(4-7-26-21)30-8-5-16(6-9-30)28-23-27-14-20-22(29-23)31(10-11-33-20)19-3-2-15(24)12-18(19)25/h2-4,7,12-14,16H,5-6,8-11H2,1H3,(H,27,28,29).
What are the key properties of 8-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
8-(2,4-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-(2,4-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 118050100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).