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

C16H18N6O2 — CID 126592360

IUPAC3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)nn2C1CCOCC1
InChIInChI=1S/C16H18N6O2/c17-15-13-14(11-7-12(24-21-11)9-1-2-9)20-22(16(13)19-8-18-15)10-3-5-23-6-4-10/h7-10H,1-6H2,(H2,17,18,19)
InChIKeyLPGYFCNQHVYZGX-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.29
Rot. Bonds3

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

3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592360) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592360
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)nn2C1CCOCC1
InChIInChI=1S/C16H18N6O2/c17-15-13-14(11-7-12(24-21-11)9-1-2-9)20-22(16(13)19-8-18-15)10-3-5-23-6-4-10/h7-10H,1-6H2,(H2,17,18,19)
InChIKeyLPGYFCNQHVYZGX-UHFFFAOYSA-N
XLogP2.29
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 139331158
3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162386398
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
5-[4-amino-1-(4-morpholin-4-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 46195246
3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 165397627
5-[4-amino-1-[(3S)-oxolan-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol
CID 24905317
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267
3-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72695153
3-(4-aminophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164854514
3-[4-[3-fluoro-5-(pyrazin-2-ylmethoxy)phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 90075700

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 126592360) is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc(C3CC3)on1)nn2C1CCOCC1.
What is the InChIKey of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LPGYFCNQHVYZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c17-15-13-14(11-7-12(24-21-11)9-1-2-9)20-22(16(13)19-8-18-15)10-3-5-23-6-4-10/h7-10H,1-6H2,(H2,17,18,19).
What are the key properties of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).