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

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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).