7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C18H20N4 — CID 58015759

IUPAC7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc3ccn(C4CCCC4)c3n2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)20-18-19-12-14-10-11-22(17(14)21-18)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,19,20,21)
InChIKeyFUQJABHAHRMYAX-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.60
Rot. Bonds3

About 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 58015759) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID58015759
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc3ccn(C4CCCC4)c3n2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)20-18-19-12-14-10-11-22(17(14)21-18)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,19,20,21)
InChIKeyFUQJABHAHRMYAX-UHFFFAOYSA-N
XLogP4.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 58015759) is 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is Cc1ccc(Nc2ncc3ccn(C4CCCC4)c3n2)cc1.
What is the InChIKey of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is FUQJABHAHRMYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)20-18-19-12-14-10-11-22(17(14)21-18)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,19,20,21).
What are the key properties of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58015759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).