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'}

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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).