4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine

C12H19N3O3 — CID 133315051

IUPAC4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCOCC2CCCO2)n1
InChIInChI=1S/C12H19N3O3/c1-16-11-4-5-13-12(15-11)14-6-8-17-9-10-3-2-7-18-10/h4-5,10H,2-3,6-9H2,1H3,(H,13,14,15)
InChIKeyYAHCGKBUTBXSLN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.09
Rot. Bonds7

About 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine

4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine (PubChem CID 133315051) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
PubChem CID133315051
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCOCC2CCCO2)n1
InChIInChI=1S/C12H19N3O3/c1-16-11-4-5-13-12(15-11)14-6-8-17-9-10-3-2-7-18-10/h4-5,10H,2-3,6-9H2,1H3,(H,13,14,15)
InChIKeyYAHCGKBUTBXSLN-UHFFFAOYSA-N
XLogP1.09
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-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 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine (CID 133315051) is 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine is COc1ccnc(NCCOCC2CCCO2)n1.
What is the InChIKey of 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is YAHCGKBUTBXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-16-11-4-5-13-12(15-11)14-6-8-17-9-10-3-2-7-18-10/h4-5,10H,2-3,6-9H2,1H3,(H,13,14,15).
What are the key properties of 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine?
4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133315051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).