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

C14H18N6O — CID 126591906

IUPAC1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1cc(-c2nn(C(C)C)c3ncnc(N)c23)no1
InChIInChI=1S/C14H18N6O/c1-7(2)10-5-9(19-21-10)12-11-13(15)16-6-17-14(11)20(18-12)8(3)4/h5-8H,1-4H3,(H2,15,16,17)
InChIKeyAFAMHDCPKBZSGQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.77
Rot. Bonds3

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

1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126591906) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126591906
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1cc(-c2nn(C(C)C)c3ncnc(N)c23)no1
InChIInChI=1S/C14H18N6O/c1-7(2)10-5-9(19-21-10)12-11-13(15)16-6-17-14(11)20(18-12)8(3)4/h5-8H,1-4H3,(H2,15,16,17)
InChIKeyAFAMHDCPKBZSGQ-UHFFFAOYSA-N
XLogP2.77
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 126591906) is 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)c1cc(-c2nn(C(C)C)c3ncnc(N)c23)no1.
What is the InChIKey of 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AFAMHDCPKBZSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-7(2)10-5-9(19-21-10)12-11-13(15)16-6-17-14(11)20(18-12)8(3)4/h5-8H,1-4H3,(H2,15,16,17).
What are the key properties of 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126591906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).