(7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one

C21H20N4O2 — CID 151712231

IUPAC(7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C(C)C)/C3=C/c2ccccc2)o1
InChIInChI=1S/C21H20N4O2/c1-12(2)25-15(11-14-7-5-4-6-8-14)18-17(20(25)26)19(24-21(22)23-18)16-10-9-13(3)27-16/h4-12H,1-3H3,(H2,22,23,24)/b15-11+
InChIKeyRGUMJVBNLZXEST-RVDMUPIBSA-N
MW360.42 g/mol
LogP3.99
Rot. Bonds3

About (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one

(7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 151712231) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one
PubChem CID151712231
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C(C)C)/C3=C/c2ccccc2)o1
InChIInChI=1S/C21H20N4O2/c1-12(2)25-15(11-14-7-5-4-6-8-14)18-17(20(25)26)19(24-21(22)23-18)16-10-9-13(3)27-16/h4-12H,1-3H3,(H2,22,23,24)/b15-11+
InChIKeyRGUMJVBNLZXEST-RVDMUPIBSA-N
XLogP3.99
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one (CID 151712231) is (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C(C)C)/C3=C/c2ccccc2)o1.
What is the InChIKey of (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is RGUMJVBNLZXEST-RVDMUPIBSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12(2)25-15(11-14-7-5-4-6-8-14)18-17(20(25)26)19(24-21(22)23-18)16-10-9-13(3)27-16/h4-12H,1-3H3,(H2,22,23,24)/b15-11+.
What are the key properties of (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one?
(7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 360.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-2-amino-7-benzylidene-4-(5-methylfuran-2-yl)-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 151712231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).