N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine

C14H15N5O — CID 123670391

IUPACN-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
SMILESCCNc1nc(-c2ccc(OC)cc2)c2[nH]cnc2n1
InChIInChI=1S/C14H15N5O/c1-3-15-14-18-11(12-13(19-14)17-8-16-12)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyUSHDLIXGNDZGNQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.46
Rot. Bonds4

About N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine

N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine (PubChem CID 123670391) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
PubChem CID123670391
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
SMILESCCNc1nc(-c2ccc(OC)cc2)c2[nH]cnc2n1
InChIInChI=1S/C14H15N5O/c1-3-15-14-18-11(12-13(19-14)17-8-16-12)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyUSHDLIXGNDZGNQ-UHFFFAOYSA-N
XLogP2.46
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-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-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
CID 114788267
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine (CID 123670391) is N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine is CCNc1nc(-c2ccc(OC)cc2)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine?
The InChIKey is USHDLIXGNDZGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-15-14-18-11(12-13(19-14)17-8-16-12)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine?
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine is sourced from PubChem (CID 123670391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).