4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine

C10H13FN2O — CID 172585979

IUPAC4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine
SMILESCCc1c(OCF)ncnc1C1CC1
InChIInChI=1S/C10H13FN2O/c1-2-8-9(7-3-4-7)12-6-13-10(8)14-5-11/h6-7H,2-5H2,1H3
InChIKeyZUMKLGVQEAELQT-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.22
Rot. Bonds4

About 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine

4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine (PubChem CID 172585979) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine
PubChem CID172585979
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine
SMILESCCc1c(OCF)ncnc1C1CC1
InChIInChI=1S/C10H13FN2O/c1-2-8-9(7-3-4-7)12-6-13-10(8)14-5-11/h6-7H,2-5H2,1H3
InChIKeyZUMKLGVQEAELQT-UHFFFAOYSA-N
XLogP2.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine (CID 172585979) is 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine is CCc1c(OCF)ncnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine?
The InChIKey is ZUMKLGVQEAELQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-8-9(7-3-4-7)12-6-13-10(8)14-5-11/h6-7H,2-5H2,1H3.
What are the key properties of 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine?
4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine has a molecular weight of 196.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine is sourced from PubChem (CID 172585979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).