(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate

C15H13N3O2 — CID 154631955

IUPAC(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate
SMILESCC(=O)Oc1cn(C)c2ncnc(-c3ccccc3)c12
InChIInChI=1S/C15H13N3O2/c1-10(19)20-12-8-18(2)15-13(12)14(16-9-17-15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOKGVFRGBKNQBOQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.56
Rot. Bonds2

About (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate

(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate (PubChem CID 154631955) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate.

Molecular Properties

Compound Name(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate
PubChem CID154631955
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate
SMILESCC(=O)Oc1cn(C)c2ncnc(-c3ccccc3)c12
InChIInChI=1S/C15H13N3O2/c1-10(19)20-12-8-18(2)15-13(12)14(16-9-17-15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOKGVFRGBKNQBOQ-UHFFFAOYSA-N
XLogP2.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate?
The IUPAC name of (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate (CID 154631955) is (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate.
What is the SMILES notation for (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate?
The canonical SMILES for (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate is CC(=O)Oc1cn(C)c2ncnc(-c3ccccc3)c12.
What is the InChIKey of (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate?
The InChIKey is OKGVFRGBKNQBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10(19)20-12-8-18(2)15-13(12)14(16-9-17-15)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate?
(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate has a molecular weight of 267.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate is sourced from PubChem (CID 154631955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).