9-butyl-N-cyclopropylpurin-6-amine

C12H17N5 — CID 10799535

IUPAC9-butyl-N-cyclopropylpurin-6-amine
SMILESCCCCn1cnc2c(NC3CC3)ncnc21
InChIInChI=1S/C12H17N5/c1-2-3-6-17-8-15-10-11(16-9-4-5-9)13-7-14-12(10)17/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeyZUVDOVXTSJASJW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.20
Rot. Bonds5

About 9-butyl-N-cyclopropylpurin-6-amine

9-butyl-N-cyclopropylpurin-6-amine (PubChem CID 10799535) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 9-butyl-N-cyclopropylpurin-6-amine.

Molecular Properties

Compound Name9-butyl-N-cyclopropylpurin-6-amine
PubChem CID10799535
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name9-butyl-N-cyclopropylpurin-6-amine
SMILESCCCCn1cnc2c(NC3CC3)ncnc21
InChIInChI=1S/C12H17N5/c1-2-3-6-17-8-15-10-11(16-9-4-5-9)13-7-14-12(10)17/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeyZUVDOVXTSJASJW-UHFFFAOYSA-N
XLogP2.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 9-butyl-N-cyclopropylpurin-6-amine?
The IUPAC name of 9-butyl-N-cyclopropylpurin-6-amine (CID 10799535) is 9-butyl-N-cyclopropylpurin-6-amine.
What is the SMILES notation for 9-butyl-N-cyclopropylpurin-6-amine?
The canonical SMILES for 9-butyl-N-cyclopropylpurin-6-amine is CCCCn1cnc2c(NC3CC3)ncnc21.
What is the InChIKey of 9-butyl-N-cyclopropylpurin-6-amine?
The InChIKey is ZUVDOVXTSJASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-3-6-17-8-15-10-11(16-9-4-5-9)13-7-14-12(10)17/h7-9H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 9-butyl-N-cyclopropylpurin-6-amine?
9-butyl-N-cyclopropylpurin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-N-cyclopropylpurin-6-amine is sourced from PubChem (CID 10799535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).