2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine

C10H13FN2O2 — CID 87976791

IUPAC2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine
SMILESCOc1cc(OCCF)nc(C2CC2)n1
InChIInChI=1S/C10H13FN2O2/c1-14-8-6-9(15-5-4-11)13-10(12-8)7-2-3-7/h6-7H,2-5H2,1H3
InChIKeyMCRXGQYCALRMFT-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.71
Rot. Bonds5

About 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine

2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine (PubChem CID 87976791) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine
PubChem CID87976791
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine
SMILESCOc1cc(OCCF)nc(C2CC2)n1
InChIInChI=1S/C10H13FN2O2/c1-14-8-6-9(15-5-4-11)13-10(12-8)7-2-3-7/h6-7H,2-5H2,1H3
InChIKeyMCRXGQYCALRMFT-UHFFFAOYSA-N
XLogP1.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
The IUPAC name of 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine (CID 87976791) is 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine is COc1cc(OCCF)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
The InChIKey is MCRXGQYCALRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-14-8-6-9(15-5-4-11)13-10(12-8)7-2-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine?
2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine has a molecular weight of 212.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine is sourced from PubChem (CID 87976791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).