8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine

C18H18N6O — CID 18982117

IUPAC8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine
SMILESCc1ccc(CCNc2nc(N)c3[nH]c(-c4ccco4)nc3n2)cc1
InChIInChI=1S/C18H18N6O/c1-11-4-6-12(7-5-11)8-9-20-18-22-15(19)14-17(24-18)23-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H4,19,20,21,22,23,24)
InChIKeyLNACZWMYUFETKD-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.16
Rot. Bonds5

About 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine

8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine (PubChem CID 18982117) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine
PubChem CID18982117
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine
SMILESCc1ccc(CCNc2nc(N)c3[nH]c(-c4ccco4)nc3n2)cc1
InChIInChI=1S/C18H18N6O/c1-11-4-6-12(7-5-11)8-9-20-18-22-15(19)14-17(24-18)23-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H4,19,20,21,22,23,24)
InChIKeyLNACZWMYUFETKD-UHFFFAOYSA-N
XLogP3.16
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine (CID 18982117) is 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine is Cc1ccc(CCNc2nc(N)c3[nH]c(-c4ccco4)nc3n2)cc1.
What is the InChIKey of 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is LNACZWMYUFETKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-4-6-12(7-5-11)8-9-20-18-22-15(19)14-17(24-18)23-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H4,19,20,21,22,23,24).
What are the key properties of 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine?
8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 334.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 18982117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).