4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine

C10H16ClN3O2 — CID 80740016

IUPAC4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
SMILESCCCCOCCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H16ClN3O2/c1-2-3-4-15-5-6-16-9-7-8(11)13-10(12)14-9/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyZQONAYKODFYANZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.91
Rot. Bonds7

About 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine

4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine (PubChem CID 80740016) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
PubChem CID80740016
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
SMILESCCCCOCCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H16ClN3O2/c1-2-3-4-15-5-6-16-9-7-8(11)13-10(12)14-9/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyZQONAYKODFYANZ-UHFFFAOYSA-N
XLogP1.91
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-butoxyethoxy)-6-chloropyrimidin-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

Related Compounds

4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566154
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
4-butoxy-6-(chloromethyl)pyrimidin-2-amine
CID 54521493
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
4-(2-butoxyethoxy)pyrimidin-2-amine
CID 80861687
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
6-butoxy-4-chloropyridin-2-amine
CID 58278129
2-(2-butoxyethoxy)-6-chloropyridin-3-amine
CID 115474476
4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
CID 104561317
2-butoxy-6-chloropyridine-4-carbonyl chloride
CID 21275763
sodium;butan-1-olate;6-butoxy-4-chloropyridin-2-amine;4,6-dichloropyridin-2-amine
CID 162242314
[6-(2-butoxyethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80909301

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine (CID 80740016) is 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine is CCCCOCCOc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine?
The InChIKey is ZQONAYKODFYANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-2-3-4-15-5-6-16-9-7-8(11)13-10(12)14-9/h7H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine?
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine has a molecular weight of 245.71 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 80740016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).