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

C15H17N5O — CID 139331236

IUPAC5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5O/c1-8(2)20-6-10(13-14(16)17-7-18-15(13)20)11-5-12(21-19-11)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyJNIMUHGRQOEUPW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.13
Rot. Bonds3

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

5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331236) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331236
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5O/c1-8(2)20-6-10(13-14(16)17-7-18-15(13)20)11-5-12(21-19-11)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyJNIMUHGRQOEUPW-UHFFFAOYSA-N
XLogP3.13
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 139331236) is 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21.
What is the InChIKey of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JNIMUHGRQOEUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-8(2)20-6-10(13-14(16)17-7-18-15(13)20)11-5-12(21-19-11)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 283.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).