7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

C18H22N6 — CID 134417070

IUPAC7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ccc(CCC2CCC(n3ccc4c(N)ncnc43)C2)cn1
InChIInChI=1S/C18H22N6/c19-16-6-4-13(10-21-16)2-1-12-3-5-14(9-12)24-8-7-15-17(20)22-11-23-18(15)24/h4,6-8,10-12,14H,1-3,5,9H2,(H2,19,21)(H2,20,22,23)
InChIKeyYNYKVGJHHBHWGZ-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.96
Rot. Bonds4

About 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134417070) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134417070
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ccc(CCC2CCC(n3ccc4c(N)ncnc43)C2)cn1
InChIInChI=1S/C18H22N6/c19-16-6-4-13(10-21-16)2-1-12-3-5-14(9-12)24-8-7-15-17(20)22-11-23-18(15)24/h4,6-8,10-12,14H,1-3,5,9H2,(H2,19,21)(H2,20,22,23)
InChIKeyYNYKVGJHHBHWGZ-UHFFFAOYSA-N
XLogP2.96
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 134417070) is 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ccc(CCC2CCC(n3ccc4c(N)ncnc43)C2)cn1.
What is the InChIKey of 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YNYKVGJHHBHWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c19-16-6-4-13(10-21-16)2-1-12-3-5-14(9-12)24-8-7-15-17(20)22-11-23-18(15)24/h4,6-8,10-12,14H,1-3,5,9H2,(H2,19,21)(H2,20,22,23).
What are the key properties of 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 322.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134417070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).