7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C18H17N5O — CID 4897319

IUPAC7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccccn3)c12
InChIInChI=1S/C18H17N5O/c1-12-13(2)23(10-14-6-5-9-24-14)18-16(12)17(20-11-21-18)22-15-7-3-4-8-19-15/h3-9,11H,10H2,1-2H3,(H,19,20,21,22)
InChIKeyZNZKQCAOXUHZDM-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.83
Rot. Bonds4

About 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4897319) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4897319
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccccn3)c12
InChIInChI=1S/C18H17N5O/c1-12-13(2)23(10-14-6-5-9-24-14)18-16(12)17(20-11-21-18)22-15-7-3-4-8-19-15/h3-9,11H,10H2,1-2H3,(H,19,20,21,22)
InChIKeyZNZKQCAOXUHZDM-UHFFFAOYSA-N
XLogP3.83
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4897319) is 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccccn3)c12.
What is the InChIKey of 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZNZKQCAOXUHZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-13(2)23(10-14-6-5-9-24-14)18-16(12)17(20-11-21-18)22-15-7-3-4-8-19-15/h3-9,11H,10H2,1-2H3,(H,19,20,21,22).
What are the key properties of 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-5,6-dimethyl-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4897319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).