9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine

C20H25N5O3 — CID 70460871

IUPAC9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine
SMILESCCC(C1COC(C)(C)O1)n1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C20H25N5O3/c1-4-14(15-11-27-20(2,3)28-15)25-12-22-16-17(25)23-19(21)24-18(16)26-10-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,21,23,24)
InChIKeyCXFQQMDGAPYXMO-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.09
Rot. Bonds6

About 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine

9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine (PubChem CID 70460871) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine.

Molecular Properties

Compound Name9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine
PubChem CID70460871
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine
SMILESCCC(C1COC(C)(C)O1)n1cnc2c(OCc3ccccc3)nc(N)nc21
InChIInChI=1S/C20H25N5O3/c1-4-14(15-11-27-20(2,3)28-15)25-12-22-16-17(25)23-19(21)24-18(16)26-10-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,21,23,24)
InChIKeyCXFQQMDGAPYXMO-UHFFFAOYSA-N
XLogP3.09
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine?
The IUPAC name of 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine (CID 70460871) is 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine.
What is the SMILES notation for 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine?
The canonical SMILES for 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine is CCC(C1COC(C)(C)O1)n1cnc2c(OCc3ccccc3)nc(N)nc21.
What is the InChIKey of 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine?
The InChIKey is CXFQQMDGAPYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-4-14(15-11-27-20(2,3)28-15)25-12-22-16-17(25)23-19(21)24-18(16)26-10-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,21,23,24).
What are the key properties of 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine?
9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine has a molecular weight of 383.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-6-phenylmethoxypurin-2-amine is sourced from PubChem (CID 70460871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).