4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine

C13H20N2O — CID 71000767

IUPAC4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine
SMILESCC(C)(C)CCOc1nccc(C2CC2)n1
InChIInChI=1S/C13H20N2O/c1-13(2,3)7-9-16-12-14-8-6-11(15-12)10-4-5-10/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyMUMRSJTXOPSRBM-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.17
Rot. Bonds4

About 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine

4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine (PubChem CID 71000767) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine
PubChem CID71000767
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine
SMILESCC(C)(C)CCOc1nccc(C2CC2)n1
InChIInChI=1S/C13H20N2O/c1-13(2,3)7-9-16-12-14-8-6-11(15-12)10-4-5-10/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyMUMRSJTXOPSRBM-UHFFFAOYSA-N
XLogP3.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine (CID 71000767) is 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine is CC(C)(C)CCOc1nccc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine?
The InChIKey is MUMRSJTXOPSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)7-9-16-12-14-8-6-11(15-12)10-4-5-10/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine?
4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine has a molecular weight of 220.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine is sourced from PubChem (CID 71000767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).