5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

C14H13N7O — CID 142467589

IUPAC5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCCn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C14H13N7O/c1-2-21-13-10(12(15)17-6-18-13)11(20-21)7-3-4-9-8(5-7)19-14(16)22-9/h3-6H,2H2,1H3,(H2,16,19)(H2,15,17,18)
InChIKeyLUWABUOVCBLSOB-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.82
Rot. Bonds2

About 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine (PubChem CID 142467589) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
PubChem CID142467589
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCCn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C14H13N7O/c1-2-21-13-10(12(15)17-6-18-13)11(20-21)7-3-4-9-8(5-7)19-14(16)22-9/h3-6H,2H2,1H3,(H2,16,19)(H2,15,17,18)
InChIKeyLUWABUOVCBLSOB-UHFFFAOYSA-N
XLogP1.82
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-amino-1-propylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 154677705
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492
5-[4-amino-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 158004609
5-[4-amino-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 127046076
5-[4-amino-1-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine;ethane
CID 178091085
CID 174001207
CID 174001207
5-[4-amino-1-[[1-(dimethylamino)isoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 71142660
3-[2-[2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethoxy]ethoxy]propanoic acid
CID 175668630
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N,N-diethyl-1,3-benzoxazol-2-amine
CID 130380349
5-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-N-hydroxyfuran-2-carboxamide
CID 164611641
tert-butyl 3-[2-[2-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethoxy]ethoxy]propanoate
CID 175669226
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine (CID 142467589) is 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine is CCn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21.
What is the InChIKey of 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The InChIKey is LUWABUOVCBLSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-2-21-13-10(12(15)17-6-18-13)11(20-21)7-3-4-9-8(5-7)19-14(16)22-9/h3-6H,2H2,1H3,(H2,16,19)(H2,15,17,18).
What are the key properties of 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine has a molecular weight of 295.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 142467589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).