8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine

C16H19ClN6 — CID 142290962

IUPAC8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine
SMILESCCC(CNC)n1c(-c2ccccc2Cl)nc2cnc(N)nc21
InChIInChI=1S/C16H19ClN6/c1-3-10(8-19-2)23-14(11-6-4-5-7-12(11)17)21-13-9-20-16(18)22-15(13)23/h4-7,9-10,19H,3,8H2,1-2H3,(H2,18,20,22)
InChIKeyZIGNTANSGZPGIQ-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.90
Rot. Bonds5

About 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine

8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine (PubChem CID 142290962) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine.

Molecular Properties

Compound Name8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine
PubChem CID142290962
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC Name8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine
SMILESCCC(CNC)n1c(-c2ccccc2Cl)nc2cnc(N)nc21
InChIInChI=1S/C16H19ClN6/c1-3-10(8-19-2)23-14(11-6-4-5-7-12(11)17)21-13-9-20-16(18)22-15(13)23/h4-7,9-10,19H,3,8H2,1-2H3,(H2,18,20,22)
InChIKeyZIGNTANSGZPGIQ-UHFFFAOYSA-N
XLogP2.90
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine?
The IUPAC name of 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine (CID 142290962) is 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine.
What is the SMILES notation for 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine?
The canonical SMILES for 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine is CCC(CNC)n1c(-c2ccccc2Cl)nc2cnc(N)nc21.
What is the InChIKey of 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine?
The InChIKey is ZIGNTANSGZPGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c1-3-10(8-19-2)23-14(11-6-4-5-7-12(11)17)21-13-9-20-16(18)22-15(13)23/h4-7,9-10,19H,3,8H2,1-2H3,(H2,18,20,22).
What are the key properties of 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine?
8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine has a molecular weight of 330.82 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-9-[1-(methylamino)butan-2-yl]purin-2-amine is sourced from PubChem (CID 142290962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).