3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine

C17H22N6 — CID 176927507

IUPAC3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine
SMILESCCCc1nc(CC)nc2c1ncn2C(C)c1cccnc1N
InChIInChI=1S/C17H22N6/c1-4-7-13-15-17(22-14(5-2)21-13)23(10-20-15)11(3)12-8-6-9-19-16(12)18/h6,8-11H,4-5,7H2,1-3H3,(H2,18,19)
InChIKeyXVSAGGKVDQTCAR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds5

About 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine

3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine (PubChem CID 176927507) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine
PubChem CID176927507
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine
SMILESCCCc1nc(CC)nc2c1ncn2C(C)c1cccnc1N
InChIInChI=1S/C17H22N6/c1-4-7-13-15-17(22-14(5-2)21-13)23(10-20-15)11(3)12-8-6-9-19-16(12)18/h6,8-11H,4-5,7H2,1-3H3,(H2,18,19)
InChIKeyXVSAGGKVDQTCAR-UHFFFAOYSA-N
XLogP2.93
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine (CID 176927507) is 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine is CCCc1nc(CC)nc2c1ncn2C(C)c1cccnc1N.
What is the InChIKey of 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine?
The InChIKey is XVSAGGKVDQTCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-4-7-13-15-17(22-14(5-2)21-13)23(10-20-15)11(3)12-8-6-9-19-16(12)18/h6,8-11H,4-5,7H2,1-3H3,(H2,18,19).
What are the key properties of 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine?
3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 176927507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).