1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

C17H23N5O — CID 71687747

IUPAC1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nc(C)c2nc(C(C)C)nc(N(C)Cc3ccco3)c21
InChIInChI=1S/C17H23N5O/c1-6-22-15-14(12(4)20-22)18-16(11(2)3)19-17(15)21(5)10-13-8-7-9-23-13/h7-9,11H,6,10H2,1-5H3
InChIKeyDKNUIQHAXBUSTK-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.51
Rot. Bonds5

About 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 71687747) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID71687747
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nc(C)c2nc(C(C)C)nc(N(C)Cc3ccco3)c21
InChIInChI=1S/C17H23N5O/c1-6-22-15-14(12(4)20-22)18-16(11(2)3)19-17(15)21(5)10-13-8-7-9-23-13/h7-9,11H,6,10H2,1-5H3
InChIKeyDKNUIQHAXBUSTK-UHFFFAOYSA-N
XLogP3.51
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 71687747) is 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCn1nc(C)c2nc(C(C)C)nc(N(C)Cc3ccco3)c21.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DKNUIQHAXBUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-6-22-15-14(12(4)20-22)18-16(11(2)3)19-17(15)21(5)10-13-8-7-9-23-13/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 313.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-N,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 71687747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).