2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol

C14H21N5O — CID 80725838

IUPAC2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
SMILESCCNc1nc(C)nc2c1cnn2C1CCCCC1O
InChIInChI=1S/C14H21N5O/c1-3-15-13-10-8-16-19(14(10)18-9(2)17-13)11-6-4-5-7-12(11)20/h8,11-12,20H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyBBEKPGHAFALKAV-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.04
Rot. Bonds3

About 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol

2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol (PubChem CID 80725838) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
PubChem CID80725838
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
SMILESCCNc1nc(C)nc2c1cnn2C1CCCCC1O
InChIInChI=1S/C14H21N5O/c1-3-15-13-10-8-16-19(14(10)18-9(2)17-13)11-6-4-5-7-12(11)20/h8,11-12,20H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyBBEKPGHAFALKAV-UHFFFAOYSA-N
XLogP2.04
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol (CID 80725838) is 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol is CCNc1nc(C)nc2c1cnn2C1CCCCC1O.
What is the InChIKey of 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The InChIKey is BBEKPGHAFALKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-15-13-10-8-16-19(14(10)18-9(2)17-13)11-6-4-5-7-12(11)20/h8,11-12,20H,3-7H2,1-2H3,(H,15,17,18).
What are the key properties of 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol has a molecular weight of 275.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 80725838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).