4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine

C11H14F2N2O — CID 168800055

IUPAC4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(OC(F)F)ncnc1C1CC1
InChIInChI=1S/C11H14F2N2O/c1-6(2)8-9(7-3-4-7)14-5-15-10(8)16-11(12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyZEFOAZYXGTYJNA-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.08
Rot. Bonds4

About 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine

4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine (PubChem CID 168800055) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine
PubChem CID168800055
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(OC(F)F)ncnc1C1CC1
InChIInChI=1S/C11H14F2N2O/c1-6(2)8-9(7-3-4-7)14-5-15-10(8)16-11(12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyZEFOAZYXGTYJNA-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
4-Tert-butyl-6-(difluoromethoxy)pyrimidine
CID 58088151
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
2-Chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
CID 58252174
4-But-2-ynoxy-5-fluoro-6-(3-methylcyclohexyl)pyrimidine
CID 86001386
4-Cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
CID 89037245
4-Cyclopropyl-5-fluoro-6-methoxy-2-propan-2-ylpyrimidine
CID 89935529
4-Cyclopropyl-5-fluoro-6-methoxy-2-methylpyrimidine
CID 89945906
4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
CID 121478453
4-(Difluoromethoxy)-6-propan-2-ylpyrimidine
CID 144179336
[4-Cyclopropyl-6-(2-fluoroethoxy)pyrimidin-5-yl]boronic acid
CID 146992522

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine (CID 168800055) is 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(OC(F)F)ncnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine?
The InChIKey is ZEFOAZYXGTYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-6(2)8-9(7-3-4-7)14-5-15-10(8)16-11(12)13/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine?
4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine has a molecular weight of 228.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 168800055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).