8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine

C26H29F2N5O2 — CID 158116281

IUPAC8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)CN1CCOc2c(F)cc(-c3nc(Cc4ccc(N5CCOCC5)cn4)ncc3F)cc21
InChIInChI=1S/C26H29F2N5O2/c1-17(2)16-33-7-10-35-26-21(27)11-18(12-23(26)33)25-22(28)15-30-24(31-25)13-19-3-4-20(14-29-19)32-5-8-34-9-6-32/h3-4,11-12,14-15,17H,5-10,13,16H2,1-2H3
InChIKeyFRASSLPTPDDKMV-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.10
Rot. Bonds6

About 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine

8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 158116281) has the molecular formula C26H29F2N5O2 and a molecular weight of 481.55 g/mol. Its IUPAC name is 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID158116281
Molecular FormulaC26H29F2N5O2
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)CN1CCOc2c(F)cc(-c3nc(Cc4ccc(N5CCOCC5)cn4)ncc3F)cc21
InChIInChI=1S/C26H29F2N5O2/c1-17(2)16-33-7-10-35-26-21(27)11-18(12-23(26)33)25-22(28)15-30-24(31-25)13-19-3-4-20(14-29-19)32-5-8-34-9-6-32/h3-4,11-12,14-15,17H,5-10,13,16H2,1-2H3
InChIKeyFRASSLPTPDDKMV-UHFFFAOYSA-N
XLogP4.10
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine with MolForge

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Related Compounds

6-[2-[[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167698710
1-[6-[[4-(4-cyclobutyl-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-4-ol
CID 157187465
8-fluoro-6-[5-fluoro-2-[(3-fluoro-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 158793375
2,8-difluoro-6-[5-fluoro-2-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 158947227
8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-1,3-benzothiazol-2-yl)methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167708021
6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N-methyl-N-(oxolan-3-yl)pyridin-3-amine
CID 157133144
8-fluoro-6-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-1-benzofuran-2-yl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167706227
2-[4-(4-cyclopentyl-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 167532435
8-fluoro-6-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-yl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167550997
N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 139390194
8-fluoro-6-[5-fluoro-2-[[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 157466618
8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-3H-indol-2-yl)methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167664090

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine (CID 158116281) is 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine is CC(C)CN1CCOc2c(F)cc(-c3nc(Cc4ccc(N5CCOCC5)cn4)ncc3F)cc21.
What is the InChIKey of 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FRASSLPTPDDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O2/c1-17(2)16-33-7-10-35-26-21(27)11-18(12-23(26)33)25-22(28)15-30-24(31-25)13-19-3-4-20(14-29-19)32-5-8-34-9-6-32/h3-4,11-12,14-15,17H,5-10,13,16H2,1-2H3.
What are the key properties of 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine?
8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 481.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 158116281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).