1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine

C17H22N6O — CID 71289134

IUPAC1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCNc1ncc2c(-c3ccoc3)nn(CC3CCC(N)CC3)c2n1
InChIInChI=1S/C17H22N6O/c1-19-17-20-8-14-15(12-6-7-24-10-12)22-23(16(14)21-17)9-11-2-4-13(18)5-3-11/h6-8,10-11,13H,2-5,9,18H2,1H3,(H,19,20,21)
InChIKeyQNFOVXAYNBZXDD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds4

About 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine

1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 71289134) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID71289134
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCNc1ncc2c(-c3ccoc3)nn(CC3CCC(N)CC3)c2n1
InChIInChI=1S/C17H22N6O/c1-19-17-20-8-14-15(12-6-7-24-10-12)22-23(16(14)21-17)9-11-2-4-13(18)5-3-11/h6-8,10-11,13H,2-5,9,18H2,1H3,(H,19,20,21)
InChIKeyQNFOVXAYNBZXDD-UHFFFAOYSA-N
XLogP2.65
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine (CID 71289134) is 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine is CNc1ncc2c(-c3ccoc3)nn(CC3CCC(N)CC3)c2n1.
What is the InChIKey of 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is QNFOVXAYNBZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-19-17-20-8-14-15(12-6-7-24-10-12)22-23(16(14)21-17)9-11-2-4-13(18)5-3-11/h6-8,10-11,13H,2-5,9,18H2,1H3,(H,19,20,21).
What are the key properties of 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine?
1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 326.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminocyclohexyl)methyl]-3-(furan-3-yl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 71289134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).