(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone

C15H16N6O — CID 90093644

IUPAC(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone
SMILESCC(C)n1cc(C(=O)c2ccnc(N)c2)c2cnc(N)nc21
InChIInChI=1S/C15H16N6O/c1-8(2)21-7-11(10-6-19-15(17)20-14(10)21)13(22)9-3-4-18-12(16)5-9/h3-8H,1-2H3,(H2,16,18)(H2,17,19,20)
InChIKeyRIAJFDNKKMMFFH-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds3

About (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone

(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone (PubChem CID 90093644) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone
PubChem CID90093644
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone
SMILESCC(C)n1cc(C(=O)c2ccnc(N)c2)c2cnc(N)nc21
InChIInChI=1S/C15H16N6O/c1-8(2)21-7-11(10-6-19-15(17)20-14(10)21)13(22)9-3-4-18-12(16)5-9/h3-8H,1-2H3,(H2,16,18)(H2,17,19,20)
InChIKeyRIAJFDNKKMMFFH-UHFFFAOYSA-N
XLogP1.80
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone?
The IUPAC name of (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone (CID 90093644) is (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone.
What is the SMILES notation for (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone?
The canonical SMILES for (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone is CC(C)n1cc(C(=O)c2ccnc(N)c2)c2cnc(N)nc21.
What is the InChIKey of (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone?
The InChIKey is RIAJFDNKKMMFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-8(2)21-7-11(10-6-19-15(17)20-14(10)21)13(22)9-3-4-18-12(16)5-9/h3-8H,1-2H3,(H2,16,18)(H2,17,19,20).
What are the key properties of (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone?
(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone has a molecular weight of 296.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(2-amino-4-pyridinyl)methanone is sourced from PubChem (CID 90093644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).