4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C14H14N4O — CID 90668083

IUPAC4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(N)c2c(n1)N(Cc1ccccc1)C(=O)C2
InChIInChI=1S/C14H14N4O/c1-9-16-13(15)11-7-12(19)18(14(11)17-9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17)
InChIKeyYKFHXIPRYYTZDI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.46
Rot. Bonds2

About 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 90668083) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID90668083
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(N)c2c(n1)N(Cc1ccccc1)C(=O)C2
InChIInChI=1S/C14H14N4O/c1-9-16-13(15)11-7-12(19)18(14(11)17-9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17)
InChIKeyYKFHXIPRYYTZDI-UHFFFAOYSA-N
XLogP1.46
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 90668083) is 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(N)c2c(n1)N(Cc1ccccc1)C(=O)C2.
What is the InChIKey of 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is YKFHXIPRYYTZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-16-13(15)11-7-12(19)18(14(11)17-9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17).
What are the key properties of 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-benzyl-2-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 90668083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).