2-chloro-N-cyclopropyl-7-ethylpurin-6-amine

C10H12ClN5 — CID 82460237

IUPAC2-chloro-N-cyclopropyl-7-ethylpurin-6-amine
SMILESCCn1cnc2nc(Cl)nc(NC3CC3)c21
InChIInChI=1S/C10H12ClN5/c1-2-16-5-12-8-7(16)9(13-6-3-4-6)15-10(11)14-8/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyXWVDPYGCJUUFAG-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine

2-chloro-N-cyclopropyl-7-ethylpurin-6-amine (PubChem CID 82460237) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-7-ethylpurin-6-amine
PubChem CID82460237
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name2-chloro-N-cyclopropyl-7-ethylpurin-6-amine
SMILESCCn1cnc2nc(Cl)nc(NC3CC3)c21
InChIInChI=1S/C10H12ClN5/c1-2-16-5-12-8-7(16)9(13-6-3-4-6)15-10(11)14-8/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyXWVDPYGCJUUFAG-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine (CID 82460237) is 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine is CCn1cnc2nc(Cl)nc(NC3CC3)c21.
What is the InChIKey of 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine?
The InChIKey is XWVDPYGCJUUFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-2-16-5-12-8-7(16)9(13-6-3-4-6)15-10(11)14-8/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine?
2-chloro-N-cyclopropyl-7-ethylpurin-6-amine has a molecular weight of 237.69 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-7-ethylpurin-6-amine is sourced from PubChem (CID 82460237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).