(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

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

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Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Variolin B
CID 9817550
N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
2-(4-Cyanophenyl)-N-{5-[7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}acetamide
CID 70847539
1-[3-(4-Amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 67219570
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[2-(Pyridin-3-Yl)ethyl]amino}pyrazin-2-Yl)methanone
CID 53488414
Meriolin 8
CID 24801181
3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)benzamide
CID 23646640
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone
CID 56926598
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-methylamino]pyrazin-2-yl]methanone
CID 56926599
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(2R,3R)-2-(4-fluorophenyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]methanone
CID 56926701
2,2,2-trifluoro-1-[1-(2-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-ethanone
CID 3362807

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).