2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine

C19H24ClN5 — CID 170120595

IUPAC2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine
SMILESCCCCC(C)n1cnc2c(NCc3cccc(C)c3)nc(Cl)nc21
InChIInChI=1S/C19H24ClN5/c1-4-5-8-14(3)25-12-22-16-17(23-19(20)24-18(16)25)21-11-15-9-6-7-13(2)10-15/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,21,23,24)
InChIKeyHCKMGWZEXVHESJ-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.15
Rot. Bonds7

About 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine

2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine (PubChem CID 170120595) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine
PubChem CID170120595
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine
SMILESCCCCC(C)n1cnc2c(NCc3cccc(C)c3)nc(Cl)nc21
InChIInChI=1S/C19H24ClN5/c1-4-5-8-14(3)25-12-22-16-17(23-19(20)24-18(16)25)21-11-15-9-6-7-13(2)10-15/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,21,23,24)
InChIKeyHCKMGWZEXVHESJ-UHFFFAOYSA-N
XLogP5.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine 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

2-chloro-N-[(4-methylphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 90956369
(4S)-2-[2-chloro-6-[(3-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
CID 146365012
[5-[2-chloro-6-[(3-methylphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl acetate
CID 167153092
4-[2-chloro-6-[(3-methylphenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxetane-2-carboxamide
CID 126726901
N-[[2-(3-tert-butylpyrazol-1-yl)-3-pyridinyl]methyl]-2-chloro-9-propan-2-ylpurin-6-amine
CID 175875621
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-9-propylpurin-6-amine
CID 18002244
N-[(2-bromo-6-fluorophenyl)methyl]-2-chloro-9-propan-2-ylpurin-6-amine
CID 52917490
2-chloro-N-[[2-[3-(dimethylamino)pyrazol-1-yl]-3-pyridinyl]methyl]-9-propan-2-ylpurin-6-amine
CID 175948414
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117088689
6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine?
The IUPAC name of 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine (CID 170120595) is 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine?
The canonical SMILES for 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine is CCCCC(C)n1cnc2c(NCc3cccc(C)c3)nc(Cl)nc21.
What is the InChIKey of 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine?
The InChIKey is HCKMGWZEXVHESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5/c1-4-5-8-14(3)25-12-22-16-17(23-19(20)24-18(16)25)21-11-15-9-6-7-13(2)10-15/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,21,23,24).
What are the key properties of 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine?
2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine has a molecular weight of 357.89 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-hexan-2-yl-N-[(3-methylphenyl)methyl]purin-6-amine is sourced from PubChem (CID 170120595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).