8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

C23H20F3N5O2 — CID 10115155

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N2CCOCC2)nc2c1CNC(=O)N2c1c(F)cccc1F
InChIInChI=1S/C23H20F3N5O2/c1-13-11-14(24)5-6-15(13)19-16-12-27-23(32)31(20-17(25)3-2-4-18(20)26)21(16)29-22(28-19)30-7-9-33-10-8-30/h2-6,11H,7-10,12H2,1H3,(H,27,32)
InChIKeyFEZXCDGUHSIPSE-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.07
Rot. Bonds3

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (PubChem CID 10115155) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
PubChem CID10115155
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N2CCOCC2)nc2c1CNC(=O)N2c1c(F)cccc1F
InChIInChI=1S/C23H20F3N5O2/c1-13-11-14(24)5-6-15(13)19-16-12-27-23(32)31(20-17(25)3-2-4-18(20)26)21(16)29-22(28-19)30-7-9-33-10-8-30/h2-6,11H,7-10,12H2,1H3,(H,27,32)
InChIKeyFEZXCDGUHSIPSE-UHFFFAOYSA-N
XLogP4.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one (CID 10115155) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(N2CCOCC2)nc2c1CNC(=O)N2c1c(F)cccc1F.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is FEZXCDGUHSIPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-13-11-14(24)5-6-15(13)19-16-12-27-23(32)31(20-17(25)3-2-4-18(20)26)21(16)29-22(28-19)30-7-9-33-10-8-30/h2-6,11H,7-10,12H2,1H3,(H,27,32).
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 455.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 10115155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).