9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine

C17H21N7 — CID 168921464

IUPAC9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCCCC3)nc(N)nc21
InChIInChI=1S/C17H21N7/c1-2-24-14(12-6-8-19-9-7-12)20-13-15(21-17(18)22-16(13)24)23-10-4-3-5-11-23/h6-9H,2-5,10-11H2,1H3,(H2,18,21,22)
InChIKeyOPXDAPVEVDENIC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.48
Rot. Bonds3

About 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine

9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine (PubChem CID 168921464) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine.

Molecular Properties

Compound Name9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
PubChem CID168921464
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCCCC3)nc(N)nc21
InChIInChI=1S/C17H21N7/c1-2-24-14(12-6-8-19-9-7-12)20-13-15(21-17(18)22-16(13)24)23-10-4-3-5-11-23/h6-9H,2-5,10-11H2,1H3,(H2,18,21,22)
InChIKeyOPXDAPVEVDENIC-UHFFFAOYSA-N
XLogP2.48
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine?
The IUPAC name of 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine (CID 168921464) is 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine.
What is the SMILES notation for 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine?
The canonical SMILES for 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine is CCn1c(-c2ccncc2)nc2c(N3CCCCC3)nc(N)nc21.
What is the InChIKey of 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine?
The InChIKey is OPXDAPVEVDENIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-2-24-14(12-6-8-19-9-7-12)20-13-15(21-17(18)22-16(13)24)23-10-4-3-5-11-23/h6-9H,2-5,10-11H2,1H3,(H2,18,21,22).
What are the key properties of 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine?
9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine is sourced from PubChem (CID 168921464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).