1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone

C14H13N5O — CID 150112369

IUPAC1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cn(C)c2nc(-c3cncc(N)c3)ncc12
InChIInChI=1S/C14H13N5O/c1-8(20)12-7-19(2)14-11(12)6-17-13(18-14)9-3-10(15)5-16-4-9/h3-7H,15H2,1-2H3
InChIKeyDXNJPXAYBYVDGU-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.82
Rot. Bonds2

About 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone

1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone (PubChem CID 150112369) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone
PubChem CID150112369
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cn(C)c2nc(-c3cncc(N)c3)ncc12
InChIInChI=1S/C14H13N5O/c1-8(20)12-7-19(2)14-11(12)6-17-13(18-14)9-3-10(15)5-16-4-9/h3-7H,15H2,1-2H3
InChIKeyDXNJPXAYBYVDGU-UHFFFAOYSA-N
XLogP1.82
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone (CID 150112369) is 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone is CC(=O)c1cn(C)c2nc(-c3cncc(N)c3)ncc12.
What is the InChIKey of 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
The InChIKey is DXNJPXAYBYVDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-8(20)12-7-19(2)14-11(12)6-17-13(18-14)9-3-10(15)5-16-4-9/h3-7H,15H2,1-2H3.
What are the key properties of 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone has a molecular weight of 267.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 150112369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).