7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C18H20N4O — CID 10267270

IUPAC7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cn(C3CCCC3)c3ncnc(N)c23)c1
InChIInChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
InChIKeyJOEZGPVMIDNCJZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.80
Rot. Bonds3

About 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10267270) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10267270
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cn(C3CCCC3)c3ncnc(N)c23)c1
InChIInChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
InChIKeyJOEZGPVMIDNCJZ-UHFFFAOYSA-N
XLogP3.80
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 10267270) is 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cn(C3CCCC3)c3ncnc(N)c23)c1.
What is the InChIKey of 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JOEZGPVMIDNCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21).
What are the key properties of 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10267270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).