6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine

C12H19N3O2 — CID 82457803

IUPAC6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCCCOc1cc(N)nc(C2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-2-3-6-17-11-8-10(13)14-12(15-11)9-5-4-7-16-9/h8-9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyRPIJJPSTUUPZAX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.09
Rot. Bonds5

About 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine

6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine (PubChem CID 82457803) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
PubChem CID82457803
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCCCOc1cc(N)nc(C2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-2-3-6-17-11-8-10(13)14-12(15-11)9-5-4-7-16-9/h8-9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyRPIJJPSTUUPZAX-UHFFFAOYSA-N
XLogP2.09
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-butoxy-2-(oxolan-2-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

Related Compounds

2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457771
6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457787
6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457938
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457767
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine (CID 82457803) is 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine is CCCCOc1cc(N)nc(C2CCCO2)n1.
What is the InChIKey of 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The InChIKey is RPIJJPSTUUPZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-6-17-11-8-10(13)14-12(15-11)9-5-4-7-16-9/h8-9H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82457803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).