2-(3-butoxycyclobutyl)pyrimidin-5-amine

C12H19N3O — CID 171578987

IUPAC2-(3-butoxycyclobutyl)pyrimidin-5-amine
SMILESCCCCOC1CC(c2ncc(N)cn2)C1
InChIInChI=1S/C12H19N3O/c1-2-3-4-16-11-5-9(6-11)12-14-7-10(13)8-15-12/h7-9,11H,2-6,13H2,1H3
InChIKeyURTKCXCANVFZIX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds5

About 2-(3-butoxycyclobutyl)pyrimidin-5-amine

2-(3-butoxycyclobutyl)pyrimidin-5-amine (PubChem CID 171578987) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3-butoxycyclobutyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-butoxycyclobutyl)pyrimidin-5-amine
PubChem CID171578987
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(3-butoxycyclobutyl)pyrimidin-5-amine
SMILESCCCCOC1CC(c2ncc(N)cn2)C1
InChIInChI=1S/C12H19N3O/c1-2-3-4-16-11-5-9(6-11)12-14-7-10(13)8-15-12/h7-9,11H,2-6,13H2,1H3
InChIKeyURTKCXCANVFZIX-UHFFFAOYSA-N
XLogP2.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(3-butoxycyclobutyl)pyrimidin-5-amine?
The IUPAC name of 2-(3-butoxycyclobutyl)pyrimidin-5-amine (CID 171578987) is 2-(3-butoxycyclobutyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(3-butoxycyclobutyl)pyrimidin-5-amine?
The canonical SMILES for 2-(3-butoxycyclobutyl)pyrimidin-5-amine is CCCCOC1CC(c2ncc(N)cn2)C1.
What is the InChIKey of 2-(3-butoxycyclobutyl)pyrimidin-5-amine?
The InChIKey is URTKCXCANVFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-4-16-11-5-9(6-11)12-14-7-10(13)8-15-12/h7-9,11H,2-6,13H2,1H3.
What are the key properties of 2-(3-butoxycyclobutyl)pyrimidin-5-amine?
2-(3-butoxycyclobutyl)pyrimidin-5-amine has a molecular weight of 221.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxycyclobutyl)pyrimidin-5-amine is sourced from PubChem (CID 171578987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).