1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine

C11H13N5 — CID 142531520

IUPAC1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=Cc1nn(C2CCC2)c2ncnc(N)c12
InChIInChI=1S/C11H13N5/c1-2-8-9-10(12)13-6-14-11(9)16(15-8)7-4-3-5-7/h2,6-7H,1,3-5H2,(H2,12,13,14)
InChIKeyPDTIKWNBNAWRBL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.78
Rot. Bonds2

About 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine

1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 142531520) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID142531520
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=Cc1nn(C2CCC2)c2ncnc(N)c12
InChIInChI=1S/C11H13N5/c1-2-8-9-10(12)13-6-14-11(9)16(15-8)7-4-3-5-7/h2,6-7H,1,3-5H2,(H2,12,13,14)
InChIKeyPDTIKWNBNAWRBL-UHFFFAOYSA-N
XLogP1.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
1-[(3S)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 170252655
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 126509833
2-[(1R,3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]acetic acid
CID 154996492
1-[3-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 135219177
3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118579175
[(2R,3S,4R,5R)-5-(4-amino-3-ethenylpyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
CID 153295301
4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
CID 91560998

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 142531520) is 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine is C=Cc1nn(C2CCC2)c2ncnc(N)c12.
What is the InChIKey of 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PDTIKWNBNAWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-8-9-10(12)13-6-14-11(9)16(15-8)7-4-3-5-7/h2,6-7H,1,3-5H2,(H2,12,13,14).
What are the key properties of 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142531520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).