7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C13H18N4O2 — CID 54907990

IUPAC7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC2COCCO2)c2ncnc(N)c12
InChIInChI=1S/C13H18N4O2/c1-8-9(2)17(5-10-6-18-3-4-19-10)13-11(8)12(14)15-7-16-13/h7,10H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyIYEKAZUMQNNBLL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds2

About 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54907990) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54907990
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC2COCCO2)c2ncnc(N)c12
InChIInChI=1S/C13H18N4O2/c1-8-9(2)17(5-10-6-18-3-4-19-10)13-11(8)12(14)15-7-16-13/h7,10H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyIYEKAZUMQNNBLL-UHFFFAOYSA-N
XLogP1.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 54907990) is 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CC2COCCO2)c2ncnc(N)c12.
What is the InChIKey of 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IYEKAZUMQNNBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-9(2)17(5-10-6-18-3-4-19-10)13-11(8)12(14)15-7-16-13/h7,10H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 262.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54907990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).