5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C16H19N5O — CID 139331260

IUPAC5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2cc(C3CC3)on2)c2c(N)ncnc2n1C(C)C
InChIInChI=1S/C16H19N5O/c1-8(2)21-9(3)13(14-15(17)18-7-19-16(14)21)11-6-12(22-20-11)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyMPQQNZUJLHHWKS-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.44
Rot. Bonds3

About 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331260) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331260
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2cc(C3CC3)on2)c2c(N)ncnc2n1C(C)C
InChIInChI=1S/C16H19N5O/c1-8(2)21-9(3)13(14-15(17)18-7-19-16(14)21)11-6-12(22-20-11)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyMPQQNZUJLHHWKS-UHFFFAOYSA-N
XLogP3.44
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 139331260) is 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(-c2cc(C3CC3)on2)c2c(N)ncnc2n1C(C)C.
What is the InChIKey of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MPQQNZUJLHHWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-8(2)21-9(3)13(14-15(17)18-7-19-16(14)21)11-6-12(22-20-11)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(5-cyclopropyl-1,2-oxazol-3-yl)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 3.44, 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)-6-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).