2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine

C19H24N6 — CID 24772975

IUPAC2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine
SMILESCCn1cnc2c(Nc3ccccc3)nc(C3CCC(N)CC3)nc21
InChIInChI=1S/C19H24N6/c1-2-25-12-21-16-18(22-15-6-4-3-5-7-15)23-17(24-19(16)25)13-8-10-14(20)11-9-13/h3-7,12-14H,2,8-11,20H2,1H3,(H,22,23,24)
InChIKeyNYTAZFDBGPHKNK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine

2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine (PubChem CID 24772975) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine
PubChem CID24772975
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine
SMILESCCn1cnc2c(Nc3ccccc3)nc(C3CCC(N)CC3)nc21
InChIInChI=1S/C19H24N6/c1-2-25-12-21-16-18(22-15-6-4-3-5-7-15)23-17(24-19(16)25)13-8-10-14(20)11-9-13/h3-7,12-14H,2,8-11,20H2,1H3,(H,22,23,24)
InChIKeyNYTAZFDBGPHKNK-UHFFFAOYSA-N
XLogP3.57
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine?
The IUPAC name of 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine (CID 24772975) is 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine.
What is the SMILES notation for 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine?
The canonical SMILES for 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine is CCn1cnc2c(Nc3ccccc3)nc(C3CCC(N)CC3)nc21.
What is the InChIKey of 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine?
The InChIKey is NYTAZFDBGPHKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-25-12-21-16-18(22-15-6-4-3-5-7-15)23-17(24-19(16)25)13-8-10-14(20)11-9-13/h3-7,12-14H,2,8-11,20H2,1H3,(H,22,23,24).
What are the key properties of 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine?
2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine has a molecular weight of 336.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-9-ethyl-N-phenylpurin-6-amine is sourced from PubChem (CID 24772975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).