2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine

C19H24N6O — CID 138700891

IUPAC2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine
SMILESCN(C)Cc1ccc(Cn2cnc3c(N)nc(OCC4CC4)nc32)cc1
InChIInChI=1S/C19H24N6O/c1-24(2)9-13-3-5-14(6-4-13)10-25-12-21-16-17(20)22-19(23-18(16)25)26-11-15-7-8-15/h3-6,12,15H,7-11H2,1-2H3,(H2,20,22,23)
InChIKeyDXCLZFDCJBDFEH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.31
Rot. Bonds7

About 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine

2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine (PubChem CID 138700891) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine
PubChem CID138700891
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine
SMILESCN(C)Cc1ccc(Cn2cnc3c(N)nc(OCC4CC4)nc32)cc1
InChIInChI=1S/C19H24N6O/c1-24(2)9-13-3-5-14(6-4-13)10-25-12-21-16-17(20)22-19(23-18(16)25)26-11-15-7-8-15/h3-6,12,15H,7-11H2,1-2H3,(H2,20,22,23)
InChIKeyDXCLZFDCJBDFEH-UHFFFAOYSA-N
XLogP2.31
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine (CID 138700891) is 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine is CN(C)Cc1ccc(Cn2cnc3c(N)nc(OCC4CC4)nc32)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine?
The InChIKey is DXCLZFDCJBDFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-24(2)9-13-3-5-14(6-4-13)10-25-12-21-16-17(20)22-19(23-18(16)25)26-11-15-7-8-15/h3-6,12,15H,7-11H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine?
2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine has a molecular weight of 352.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-9-[[4-[(dimethylamino)methyl]phenyl]methyl]purin-6-amine is sourced from PubChem (CID 138700891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).