9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine

C11H15N5O2 — CID 158400483

IUPAC9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine
SMILESCC1(C)OC[C@H](Cn2cnc3cnc(N)nc32)O1
InChIInChI=1S/C11H15N5O2/c1-11(2)17-5-7(18-11)4-16-6-14-8-3-13-10(12)15-9(8)16/h3,6-7H,4-5H2,1-2H3,(H2,12,13,15)/t7-/m0/s1
InChIKeyBDXAFANEZDPOPY-ZETCQYMHSA-N
MW249.27 g/mol
LogP0.56
Rot. Bonds2

About 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine

9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine (PubChem CID 158400483) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine.

Molecular Properties

Compound Name9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine
PubChem CID158400483
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine
SMILESCC1(C)OC[C@H](Cn2cnc3cnc(N)nc32)O1
InChIInChI=1S/C11H15N5O2/c1-11(2)17-5-7(18-11)4-16-6-14-8-3-13-10(12)15-9(8)16/h3,6-7H,4-5H2,1-2H3,(H2,12,13,15)/t7-/m0/s1
InChIKeyBDXAFANEZDPOPY-ZETCQYMHSA-N
XLogP0.56
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?
The IUPAC name of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine (CID 158400483) is 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine.
What is the SMILES notation for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?
The canonical SMILES for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine is CC1(C)OC[C@H](Cn2cnc3cnc(N)nc32)O1.
What is the InChIKey of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?
The InChIKey is BDXAFANEZDPOPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-11(2)17-5-7(18-11)4-16-6-14-8-3-13-10(12)15-9(8)16/h3,6-7H,4-5H2,1-2H3,(H2,12,13,15)/t7-/m0/s1.
What are the key properties of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?
9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine has a molecular weight of 249.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine is sourced from PubChem (CID 158400483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).