2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

C20H15F3N4O3 — CID 150213620

IUPAC2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3C(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H15F3N4O3/c1-9-7-8-12(30-9)14-13-15(26-19(24)25-14)16(27(2)18(13)29)17(28)10-5-3-4-6-11(10)20(21,22)23/h3-8,16H,1-2H3,(H2,24,25,26)
InChIKeyFRZWFGFXZGMITD-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.66
Rot. Bonds3

About 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 150213620) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID150213620
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC Name2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3C(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H15F3N4O3/c1-9-7-8-12(30-9)14-13-15(26-19(24)25-14)16(27(2)18(13)29)17(28)10-5-3-4-6-11(10)20(21,22)23/h3-8,16H,1-2H3,(H2,24,25,26)
InChIKeyFRZWFGFXZGMITD-UHFFFAOYSA-N
XLogP3.66
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 150213620) is 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3C(=O)c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is FRZWFGFXZGMITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c1-9-7-8-12(30-9)14-13-15(26-19(24)25-14)16(27(2)18(13)29)17(28)10-5-3-4-6-11(10)20(21,22)23/h3-8,16H,1-2H3,(H2,24,25,26).
What are the key properties of 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 416.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[2-(trifluoromethyl)benzoyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 150213620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).