6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine

C14H15ClN6 — CID 141182611

IUPAC6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N)nc21
InChIInChI=1S/C14H15ClN6/c1-8(2)21-7-17-11-12(19-14(16)20-13(11)21)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H3,16,18,19,20)
InChIKeyQNRRGEYWWWOXGE-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.39
Rot. Bonds3

About 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine

6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine (PubChem CID 141182611) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine
PubChem CID141182611
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N)nc21
InChIInChI=1S/C14H15ClN6/c1-8(2)21-7-17-11-12(19-14(16)20-13(11)21)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H3,16,18,19,20)
InChIKeyQNRRGEYWWWOXGE-UHFFFAOYSA-N
XLogP3.39
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-piperazin-1-yl-9-propan-2-ylpurin-6-amine
CID 10429330
4-N-(3-chlorophenyl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 175731851
1-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol
CID 6538969
2-chloro-9-propan-2-yl-N-(3-pyrimidin-2-ylphenyl)purin-6-amine
CID 71745026
6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one
CID 142317527
N-(3-bromophenyl)-2-iodo-9-propan-2-ylpurin-6-amine
CID 10647526
2-iodo-N-phenyl-9-propan-2-ylpurin-6-amine
CID 11794083
2-chloro-N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 11001320
2-chloro-N-(3,5-dibromophenyl)-9-propan-2-ylpurin-6-amine
CID 176909183
(2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 6604931
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine (CID 141182611) is 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N)nc21.
What is the InChIKey of 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine?
The InChIKey is QNRRGEYWWWOXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-8(2)21-7-17-11-12(19-14(16)20-13(11)21)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H3,16,18,19,20).
What are the key properties of 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine?
6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 302.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 141182611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).