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

C19H16F2N4O2 — CID 146344783

IUPAC2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2F)o1
InChIInChI=1S/C19H16F2N4O2/c1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21/h3-6,8,13H,7H2,1-2H3,(H2,22,23,24)
InChIKeyNRLURACTAAFMGJ-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.27
Rot. Bonds3

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

2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146344783) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID146344783
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2F)o1
InChIInChI=1S/C19H16F2N4O2/c1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21/h3-6,8,13H,7H2,1-2H3,(H2,22,23,24)
InChIKeyNRLURACTAAFMGJ-UHFFFAOYSA-N
XLogP3.27
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 146344783) is 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2F)o1.
What is the InChIKey of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is NRLURACTAAFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21/h3-6,8,13H,7H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 370.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).