7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine

C21H22N6 — CID 175381939

IUPAC7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine
SMILESCC(c1ccc2ccc(NC3CCC3)nc2c1)n1ccc2c(N)ncnc21
InChIInChI=1S/C21H22N6/c1-13(27-10-9-17-20(22)23-12-24-21(17)27)15-6-5-14-7-8-19(26-18(14)11-15)25-16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,25,26)(H2,22,23,24)
InChIKeyHEVQQESDDQNRSQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.14
Rot. Bonds4

About 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine

7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine (PubChem CID 175381939) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine.

Molecular Properties

Compound Name7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine
PubChem CID175381939
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine
SMILESCC(c1ccc2ccc(NC3CCC3)nc2c1)n1ccc2c(N)ncnc21
InChIInChI=1S/C21H22N6/c1-13(27-10-9-17-20(22)23-12-24-21(17)27)15-6-5-14-7-8-19(26-18(14)11-15)25-16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,25,26)(H2,22,23,24)
InChIKeyHEVQQESDDQNRSQ-UHFFFAOYSA-N
XLogP4.14
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine?
The IUPAC name of 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine (CID 175381939) is 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine.
What is the SMILES notation for 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine?
The canonical SMILES for 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine is CC(c1ccc2ccc(NC3CCC3)nc2c1)n1ccc2c(N)ncnc21.
What is the InChIKey of 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine?
The InChIKey is HEVQQESDDQNRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-13(27-10-9-17-20(22)23-12-24-21(17)27)15-6-5-14-7-8-19(26-18(14)11-15)25-16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,25,26)(H2,22,23,24).
What are the key properties of 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine?
7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine has a molecular weight of 358.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-cyclobutylquinolin-2-amine is sourced from PubChem (CID 175381939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).