4-cyclopropyl-2-(3-methylbutoxy)pyrimidine

C12H18N2O — CID 58044596

IUPAC4-cyclopropyl-2-(3-methylbutoxy)pyrimidine
SMILESCC(C)CCOc1nccc(C2CC2)n1
InChIInChI=1S/C12H18N2O/c1-9(2)6-8-15-12-13-7-5-11(14-12)10-3-4-10/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyYNAODIRLRUWXQK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.78
Rot. Bonds5

About 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine

4-cyclopropyl-2-(3-methylbutoxy)pyrimidine (PubChem CID 58044596) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-methylbutoxy)pyrimidine
PubChem CID58044596
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-cyclopropyl-2-(3-methylbutoxy)pyrimidine
SMILESCC(C)CCOc1nccc(C2CC2)n1
InChIInChI=1S/C12H18N2O/c1-9(2)6-8-15-12-13-7-5-11(14-12)10-3-4-10/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyYNAODIRLRUWXQK-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.78
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-methylbutoxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine (CID 58044596) is 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine is CC(C)CCOc1nccc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine?
The InChIKey is YNAODIRLRUWXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)6-8-15-12-13-7-5-11(14-12)10-3-4-10/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine?
4-cyclopropyl-2-(3-methylbutoxy)pyrimidine has a molecular weight of 206.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-methylbutoxy)pyrimidine is sourced from PubChem (CID 58044596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).