1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C16H19N5O — CID 22015549

IUPAC1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(CC3CCCCC3)c2n1
InChIInChI=1S/C16H19N5O/c17-16-19-14(13-7-4-8-22-13)12-9-18-21(15(12)20-16)10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,17,19,20)
InChIKeyOBNVKWPJMAOTMJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.25
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015549) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015549
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(CC3CCCCC3)c2n1
InChIInChI=1S/C16H19N5O/c17-16-19-14(13-7-4-8-22-13)12-9-18-21(15(12)20-16)10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,17,19,20)
InChIKeyOBNVKWPJMAOTMJ-UHFFFAOYSA-N
XLogP3.25
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015549) is 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccco2)c2cnn(CC3CCCCC3)c2n1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is OBNVKWPJMAOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-16-19-14(13-7-4-8-22-13)12-9-18-21(15(12)20-16)10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,17,19,20).
What are the key properties of 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 297.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).