4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine

C10H14N2O — CID 176758392

IUPAC4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine
SMILESCOc1nc(C)nc(C2CC2)c1C
InChIInChI=1S/C10H14N2O/c1-6-9(8-4-5-8)11-7(2)12-10(6)13-3/h8H,4-5H2,1-3H3
InChIKeyROFRPLFOWVKMIX-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.98
Rot. Bonds2

About 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine

4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine (PubChem CID 176758392) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine
PubChem CID176758392
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine
SMILESCOc1nc(C)nc(C2CC2)c1C
InChIInChI=1S/C10H14N2O/c1-6-9(8-4-5-8)11-7(2)12-10(6)13-3/h8H,4-5H2,1-3H3
InChIKeyROFRPLFOWVKMIX-UHFFFAOYSA-N
XLogP1.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine (CID 176758392) is 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine is COc1nc(C)nc(C2CC2)c1C.
What is the InChIKey of 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine?
The InChIKey is ROFRPLFOWVKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-9(8-4-5-8)11-7(2)12-10(6)13-3/h8H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine?
4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine has a molecular weight of 178.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methoxy-2,5-dimethylpyrimidine is sourced from PubChem (CID 176758392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).