5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine

C15H19N5O — CID 39893465

IUPAC5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccc(C)o2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H19N5O/c1-5-12-17-13-10(3)19-20(4)14(13)15(18-12)16-8-11-7-6-9(2)21-11/h6-7H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyZNYAHQPMFPGYIQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.75
Rot. Bonds4

About 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine

5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893465) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893465
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccc(C)o2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H19N5O/c1-5-12-17-13-10(3)19-20(4)14(13)15(18-12)16-8-11-7-6-9(2)21-11/h6-7H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyZNYAHQPMFPGYIQ-UHFFFAOYSA-N
XLogP2.75
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine (CID 39893465) is 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine is CCc1nc(NCc2ccc(C)o2)c2c(n1)c(C)nn2C.
What is the InChIKey of 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZNYAHQPMFPGYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-5-12-17-13-10(3)19-20(4)14(13)15(18-12)16-8-11-7-6-9(2)21-11/h6-7H,5,8H2,1-4H3,(H,16,17,18).
What are the key properties of 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine?
5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 285.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).