7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C17H24N4 — CID 43337023

IUPAC7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(C(C)C2CC3CCC2C3)c2ncnc(N)c12
InChIInChI=1S/C17H24N4/c1-9-10(2)21(17-15(9)16(18)19-8-20-17)11(3)14-7-12-4-5-13(14)6-12/h8,11-14H,4-7H2,1-3H3,(H2,18,19,20)
InChIKeyWBMQWWCPLPITJK-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.63
Rot. Bonds2

About 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43337023) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43337023
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(C(C)C2CC3CCC2C3)c2ncnc(N)c12
InChIInChI=1S/C17H24N4/c1-9-10(2)21(17-15(9)16(18)19-8-20-17)11(3)14-7-12-4-5-13(14)6-12/h8,11-14H,4-7H2,1-3H3,(H2,18,19,20)
InChIKeyWBMQWWCPLPITJK-UHFFFAOYSA-N
XLogP3.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43337023) is 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(C(C)C2CC3CCC2C3)c2ncnc(N)c12.
What is the InChIKey of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WBMQWWCPLPITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-9-10(2)21(17-15(9)16(18)19-8-20-17)11(3)14-7-12-4-5-13(14)6-12/h8,11-14H,4-7H2,1-3H3,(H2,18,19,20).
What are the key properties of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43337023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).