6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine

C19H19N5O — CID 59835049

IUPAC6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine
SMILESCc1ccc(Cn2cnc3c(-c4ccco4)nc(N(C)C)nc32)cc1
InChIInChI=1S/C19H19N5O/c1-13-6-8-14(9-7-13)11-24-12-20-17-16(15-5-4-10-25-15)21-19(23(2)3)22-18(17)24/h4-10,12H,11H2,1-3H3
InChIKeyJKAGQSHMYZZLSL-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.51
Rot. Bonds4

About 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine

6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine (PubChem CID 59835049) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine
PubChem CID59835049
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine
SMILESCc1ccc(Cn2cnc3c(-c4ccco4)nc(N(C)C)nc32)cc1
InChIInChI=1S/C19H19N5O/c1-13-6-8-14(9-7-13)11-24-12-20-17-16(15-5-4-10-25-15)21-19(23(2)3)22-18(17)24/h4-10,12H,11H2,1-3H3
InChIKeyJKAGQSHMYZZLSL-UHFFFAOYSA-N
XLogP3.51
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-(furan-2-yl)purin-9-yl]methyl]-N,N-dimethylaniline
CID 5270851
2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
CID 71171768
2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate
CID 174477594
9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine
CID 58758787
3-[[2-amino-6-(furan-2-yl)purin-9-yl]methyl]benzonitrile
CID 59835103
9-[(3-chlorophenyl)methyl]-6-(furan-2-yl)purine
CID 5270740
2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 59835019
6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine
CID 59835056
9-[(E)-but-2-enyl]-6-(furan-2-yl)purin-2-amine
CID 59834966
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
CID 59834969
6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine
CID 59835097

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine?
The IUPAC name of 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine (CID 59835049) is 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine.
What is the SMILES notation for 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine?
The canonical SMILES for 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine is Cc1ccc(Cn2cnc3c(-c4ccco4)nc(N(C)C)nc32)cc1.
What is the InChIKey of 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine?
The InChIKey is JKAGQSHMYZZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-6-8-14(9-7-13)11-24-12-20-17-16(15-5-4-10-25-15)21-19(23(2)3)22-18(17)24/h4-10,12H,11H2,1-3H3.
What are the key properties of 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine?
6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine has a molecular weight of 333.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine is sourced from PubChem (CID 59835049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).