2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine

C11H17N3O2 — CID 80873406

IUPAC2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OC2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-7-10(12)13-8(2)14-11(7)16-9-3-5-15-6-4-9/h9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyKNZRMWPJKWVUSJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.23
Rot. Bonds2

About 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine

2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine (PubChem CID 80873406) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
PubChem CID80873406
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OC2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-7-10(12)13-8(2)14-11(7)16-9-3-5-15-6-4-9/h9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyKNZRMWPJKWVUSJ-UHFFFAOYSA-N
XLogP1.23
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-6-(oxan-4-yloxy)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 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine (CID 80873406) is 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine is Cc1nc(N)c(C)c(OC2CCOCC2)n1.
What is the InChIKey of 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The InChIKey is KNZRMWPJKWVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(12)13-8(2)14-11(7)16-9-3-5-15-6-4-9/h9H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine has a molecular weight of 223.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80873406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).