N-cyclopentyl-9-ethylpurin-6-amine

C12H17N5 — CID 15693948

IUPACN-cyclopentyl-9-ethylpurin-6-amine
SMILESCCn1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeyCDVHQRUOORNLKE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.20
Rot. Bonds3

About N-cyclopentyl-9-ethylpurin-6-amine

N-cyclopentyl-9-ethylpurin-6-amine (PubChem CID 15693948) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-cyclopentyl-9-ethylpurin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-9-ethylpurin-6-amine
PubChem CID15693948
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-cyclopentyl-9-ethylpurin-6-amine
SMILESCCn1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeyCDVHQRUOORNLKE-UHFFFAOYSA-N
XLogP2.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-ethylpurin-6-amine?
The IUPAC name of N-cyclopentyl-9-ethylpurin-6-amine (CID 15693948) is N-cyclopentyl-9-ethylpurin-6-amine.
What is the SMILES notation for N-cyclopentyl-9-ethylpurin-6-amine?
The canonical SMILES for N-cyclopentyl-9-ethylpurin-6-amine is CCn1cnc2c(NC3CCCC3)ncnc21.
What is the InChIKey of N-cyclopentyl-9-ethylpurin-6-amine?
The InChIKey is CDVHQRUOORNLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16).
What are the key properties of N-cyclopentyl-9-ethylpurin-6-amine?
N-cyclopentyl-9-ethylpurin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-ethylpurin-6-amine is sourced from PubChem (CID 15693948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).