2-butoxypyrimidin-5-amine

C8H13N3O — CID 3041747

IUPAC2-butoxypyrimidin-5-amine
SMILESCCCCOc1ncc(N)cn1
InChIInChI=1S/C8H13N3O/c1-2-3-4-12-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3
InChIKeyZCYLUQUNKIIGEI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds4

About 2-butoxypyrimidin-5-amine

2-butoxypyrimidin-5-amine (PubChem CID 3041747) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-butoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-butoxypyrimidin-5-amine
PubChem CID3041747
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-butoxypyrimidin-5-amine
SMILESCCCCOc1ncc(N)cn1
InChIInChI=1S/C8H13N3O/c1-2-3-4-12-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3
InChIKeyZCYLUQUNKIIGEI-UHFFFAOYSA-N
XLogP1.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxypyrimidin-5-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 2-butoxypyrimidin-5-amine?
The IUPAC name of 2-butoxypyrimidin-5-amine (CID 3041747) is 2-butoxypyrimidin-5-amine.
What is the SMILES notation for 2-butoxypyrimidin-5-amine?
The canonical SMILES for 2-butoxypyrimidin-5-amine is CCCCOc1ncc(N)cn1.
What is the InChIKey of 2-butoxypyrimidin-5-amine?
The InChIKey is ZCYLUQUNKIIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-4-12-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3.
What are the key properties of 2-butoxypyrimidin-5-amine?
2-butoxypyrimidin-5-amine has a molecular weight of 167.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxypyrimidin-5-amine is sourced from PubChem (CID 3041747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).