6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine

C12H19N3O2 — CID 66325436

IUPAC6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(NC2CCCOC2)c1C
InChIInChI=1S/C12H19N3O2/c1-3-17-12-9(2)11(13-8-14-12)15-10-5-4-6-16-7-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKYXVDCJPMXOLSJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds4

About 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine (PubChem CID 66325436) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine
PubChem CID66325436
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(NC2CCCOC2)c1C
InChIInChI=1S/C12H19N3O2/c1-3-17-12-9(2)11(13-8-14-12)15-10-5-4-6-16-7-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKYXVDCJPMXOLSJ-UHFFFAOYSA-N
XLogP1.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-5-methyl-N-(oxan-3-yl)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 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine (CID 66325436) is 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine is CCOc1ncnc(NC2CCCOC2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine?
The InChIKey is KYXVDCJPMXOLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12-9(2)11(13-8-14-12)15-10-5-4-6-16-7-10/h8,10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66325436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).