N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine

C14H14ClN5 — CID 163344769

IUPACN-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine
SMILESCn1cnc2c(NCCc3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C14H14ClN5/c1-20-9-19-12-13(17-8-18-14(12)20)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyYLXOHIKGDWVPGW-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine

N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine (PubChem CID 163344769) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine
PubChem CID163344769
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine
SMILESCn1cnc2c(NCCc3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C14H14ClN5/c1-20-9-19-12-13(17-8-18-14(12)20)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyYLXOHIKGDWVPGW-UHFFFAOYSA-N
XLogP2.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-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

N'-(9-methylpurin-6-yl)propane-1,3-diamine
CID 83833396
3-[(9-methylpurin-6-yl)amino]propanoic acid
CID 14161254
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560
2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774024
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
9-methyl-N-phenylmethoxypurin-6-amine
CID 14602815
1-(4-chlorophenyl)-9-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]purin-6-one
CID 11328337
4-ethyl-N-(9-methylpurin-6-yl)benzamide
CID 163496172
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
CID 139023673
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine (CID 163344769) is N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine is Cn1cnc2c(NCCc3ccc(Cl)cc3)ncnc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine?
The InChIKey is YLXOHIKGDWVPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-20-9-19-12-13(17-8-18-14(12)20)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine?
N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine has a molecular weight of 287.75 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine is sourced from PubChem (CID 163344769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).