7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one

C20H24F3N7O3 — CID 146195114

IUPAC7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one
SMILESCOCC1(C)C(=O)Nc2c(C)nc(NC3CC(Oc4cnc(C(F)(F)F)nc4)C3)nc2N1C
InChIInChI=1S/C20H24F3N7O3/c1-10-14-15(30(3)19(2,9-32-4)17(31)28-14)29-18(26-10)27-11-5-12(6-11)33-13-7-24-16(25-8-13)20(21,22)23/h7-8,11-12H,5-6,9H2,1-4H3,(H,28,31)(H,26,27,29)
InChIKeyOJLHUSUVLUOUSU-UHFFFAOYSA-N
MW467.45 g/mol
LogP2.41
Rot. Bonds6

About 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one

7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one (PubChem CID 146195114) has the molecular formula C20H24F3N7O3 and a molecular weight of 467.45 g/mol. Its IUPAC name is 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one.

Molecular Properties

Compound Name7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one
PubChem CID146195114
Molecular FormulaC20H24F3N7O3
Molecular Weight467.45 g/mol
Exact Mass467.19
IUPAC Name7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one
SMILESCOCC1(C)C(=O)Nc2c(C)nc(NC3CC(Oc4cnc(C(F)(F)F)nc4)C3)nc2N1C
InChIInChI=1S/C20H24F3N7O3/c1-10-14-15(30(3)19(2,9-32-4)17(31)28-14)29-18(26-10)27-11-5-12(6-11)33-13-7-24-16(25-8-13)20(21,22)23/h7-8,11-12H,5-6,9H2,1-4H3,(H,28,31)(H,26,27,29)
InChIKeyOJLHUSUVLUOUSU-UHFFFAOYSA-N
XLogP2.41
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one with MolForge

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Related Compounds

(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[[3-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146193965
(7S)-7-(1-methoxyethyl)-4,8-dimethyl-2-[[3-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146193967
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one
CID 146194158
(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194187
(7S)-7-(1-methoxyethyl)-4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194188
4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]spiro[5H-pteridine-7,3'-oxolane]-6-one
CID 146194239
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
CID 146194521
(7S)-4,5,7,8-tetramethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-7H-pteridin-6-one
CID 146194524
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194704
(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[[3-[methyl-[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194778
(7S)-7-(1-methoxyethyl)-4,8-dimethyl-2-[[3-[methyl-[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194781
(7S)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194864

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one?
The IUPAC name of 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one (CID 146195114) is 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one.
What is the SMILES notation for 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one?
The canonical SMILES for 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one is COCC1(C)C(=O)Nc2c(C)nc(NC3CC(Oc4cnc(C(F)(F)F)nc4)C3)nc2N1C.
What is the InChIKey of 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one?
The InChIKey is OJLHUSUVLUOUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O3/c1-10-14-15(30(3)19(2,9-32-4)17(31)28-14)29-18(26-10)27-11-5-12(6-11)33-13-7-24-16(25-8-13)20(21,22)23/h7-8,11-12H,5-6,9H2,1-4H3,(H,28,31)(H,26,27,29).
What are the key properties of 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one?
7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one has a molecular weight of 467.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-4,7,8-trimethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5H-pteridin-6-one is sourced from PubChem (CID 146195114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).