5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C20H20N6O — CID 139331206

IUPAC5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncnc21
InChIInChI=1S/C20H20N6O/c1-11(2)26-9-13(15-19(21)23-10-24-20(15)26)17-16(14-5-3-4-8-22-14)18(27-25-17)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,21,23,24)
InChIKeyBSMWNBXVSLLPQA-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.19
Rot. Bonds4

About 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331206) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331206
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncnc21
InChIInChI=1S/C20H20N6O/c1-11(2)26-9-13(15-19(21)23-10-24-20(15)26)17-16(14-5-3-4-8-22-14)18(27-25-17)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,21,23,24)
InChIKeyBSMWNBXVSLLPQA-UHFFFAOYSA-N
XLogP4.19
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 139331206) is 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncnc21.
What is the InChIKey of 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BSMWNBXVSLLPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11(2)26-9-13(15-19(21)23-10-24-20(15)26)17-16(14-5-3-4-8-22-14)18(27-25-17)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,21,23,24).
What are the key properties of 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).