3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

C13H23N5O2 — CID 106918557

IUPAC3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCOCc1nc(NC)cc(N(C)CCC(=O)NC)n1
InChIInChI=1S/C13H23N5O2/c1-5-20-9-11-16-10(14-2)8-12(17-11)18(4)7-6-13(19)15-3/h8H,5-7,9H2,1-4H3,(H,15,19)(H,14,16,17)
InChIKeySSKHFHSRPKTFHA-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds8

About 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (PubChem CID 106918557) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
PubChem CID106918557
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCOCc1nc(NC)cc(N(C)CCC(=O)NC)n1
InChIInChI=1S/C13H23N5O2/c1-5-20-9-11-16-10(14-2)8-12(17-11)18(4)7-6-13(19)15-3/h8H,5-7,9H2,1-4H3,(H,15,19)(H,14,16,17)
InChIKeySSKHFHSRPKTFHA-UHFFFAOYSA-N
XLogP0.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide 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 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (CID 106918557) is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is CCOCc1nc(NC)cc(N(C)CCC(=O)NC)n1.
What is the InChIKey of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The InChIKey is SSKHFHSRPKTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-20-9-11-16-10(14-2)8-12(17-11)18(4)7-6-13(19)15-3/h8H,5-7,9H2,1-4H3,(H,15,19)(H,14,16,17).
What are the key properties of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).