2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C12H19N3O2 — CID 65351633

IUPAC2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C2COCCO2)nc(N)c1C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10-8(3)14-12(15-11(10)13)9-6-16-4-5-17-9/h7,9H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyAEUWJSBWFVSNGH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.58
Rot. Bonds2

About 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 65351633) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID65351633
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C2COCCO2)nc(N)c1C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10-8(3)14-12(15-11(10)13)9-6-16-4-5-17-9/h7,9H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyAEUWJSBWFVSNGH-UHFFFAOYSA-N
XLogP1.58
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-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 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 65351633) is 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is Cc1nc(C2COCCO2)nc(N)c1C(C)C.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is AEUWJSBWFVSNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)10-8(3)14-12(15-11(10)13)9-6-16-4-5-17-9/h7,9H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 65351633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).