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

C18H18N8O — CID 139331397

IUPAC3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2ncccn2)c2c(N)ncnc21
InChIInChI=1S/C18H18N8O/c1-9(2)26-18-12(16(19)22-8-23-18)13(24-26)14-11(17-20-6-3-7-21-17)15(27-25-14)10-4-5-10/h3,6-10H,4-5H2,1-2H3,(H2,19,22,23)
InChIKeyGCGHMQIVJLPNJT-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.98
Rot. Bonds4

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

3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139331397) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139331397
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2ncccn2)c2c(N)ncnc21
InChIInChI=1S/C18H18N8O/c1-9(2)26-18-12(16(19)22-8-23-18)13(24-26)14-11(17-20-6-3-7-21-17)15(27-25-14)10-4-5-10/h3,6-10H,4-5H2,1-2H3,(H2,19,22,23)
InChIKeyGCGHMQIVJLPNJT-UHFFFAOYSA-N
XLogP2.98
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 139331397) is 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2noc(C3CC3)c2-c2ncccn2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GCGHMQIVJLPNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-9(2)26-18-12(16(19)22-8-23-18)13(24-26)14-11(17-20-6-3-7-21-17)15(27-25-14)10-4-5-10/h3,6-10H,4-5H2,1-2H3,(H2,19,22,23).
What are the key properties of 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 362.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139331397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).