6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine

C11H18ClN3O2 — CID 82463136

IUPAC6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCOCCCNc1cc(Cl)nc(COC)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-17-6-4-5-13-10-7-9(12)14-11(15-10)8-16-2/h7H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyJIYYQBFUXUGSKE-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.11
Rot. Bonds8

About 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine

6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 82463136) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID82463136
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCOCCCNc1cc(Cl)nc(COC)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-17-6-4-5-13-10-7-9(12)14-11(15-10)8-16-2/h7H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyJIYYQBFUXUGSKE-UHFFFAOYSA-N
XLogP2.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)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

Related Compounds

6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106341586
6-chloro-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 53410275
6-chloro-N-(3-ethoxypropyl)pyridin-2-amine
CID 53410274
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114184791
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine (CID 82463136) is 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine is CCOCCCNc1cc(Cl)nc(COC)n1.
What is the InChIKey of 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is JIYYQBFUXUGSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-17-6-4-5-13-10-7-9(12)14-11(15-10)8-16-2/h7H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine?
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 259.74 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 82463136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).