6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine

C12H16ClN5O2 — CID 11781483

IUPAC6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine
SMILESCC1OCC(CCn2cnc3c(Cl)nc(N)nc32)CO1
InChIInChI=1S/C12H16ClN5O2/c1-7-19-4-8(5-20-7)2-3-18-6-15-9-10(13)16-12(14)17-11(9)18/h6-8H,2-5H2,1H3,(H2,14,16,17)
InChIKeyYRALEEVRXSRCMA-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.46
Rot. Bonds3

About 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine

6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine (PubChem CID 11781483) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine
PubChem CID11781483
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine
SMILESCC1OCC(CCn2cnc3c(Cl)nc(N)nc32)CO1
InChIInChI=1S/C12H16ClN5O2/c1-7-19-4-8(5-20-7)2-3-18-6-15-9-10(13)16-12(14)17-11(9)18/h6-8H,2-5H2,1H3,(H2,14,16,17)
InChIKeyYRALEEVRXSRCMA-UHFFFAOYSA-N
XLogP1.46
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2-amino-6-chloropurin-9-yl)ethyl]-1,3-dioxan-2-one
CID 10827890
6-chloro-9-pentylpurin-2-amine
CID 139201177
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382
6-chloro-9-[(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)oxymethyl]purin-2-amine
CID 19868867
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836
6-chloro-9-[[(2S,4R)-2-(diethoxyphosphorylmethyl)-1,3-dioxolan-4-yl]methyl]purin-2-amine
CID 18664209
6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine
CID 174675846
2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
CID 10516417
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-methoxyphosphinic acid
CID 167008984
6-chloro-9-[2-(dipropoxyphosphorylmethoxy)ethyl]purin-2-amine
CID 89383791
6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine
CID 89315856
6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine
CID 141106992

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine (CID 11781483) is 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine is CC1OCC(CCn2cnc3c(Cl)nc(N)nc32)CO1.
What is the InChIKey of 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine?
The InChIKey is YRALEEVRXSRCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-7-19-4-8(5-20-7)2-3-18-6-15-9-10(13)16-12(14)17-11(9)18/h6-8H,2-5H2,1H3,(H2,14,16,17).
What are the key properties of 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine?
6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine has a molecular weight of 297.75 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine is sourced from PubChem (CID 11781483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).