4-(difluoromethoxy)-2-propan-2-ylpyrimidine

C8H10F2N2O — CID 54258906

IUPAC4-(difluoromethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(OC(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-5(2)7-11-4-3-6(12-7)13-8(9)10/h3-5,8H,1-2H3
InChIKeyCBHTUOSMPPAHKF-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.20
Rot. Bonds3

About 4-(difluoromethoxy)-2-propan-2-ylpyrimidine

4-(difluoromethoxy)-2-propan-2-ylpyrimidine (PubChem CID 54258906) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-propan-2-ylpyrimidine
PubChem CID54258906
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-(difluoromethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(OC(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-5(2)7-11-4-3-6(12-7)13-8(9)10/h3-5,8H,1-2H3
InChIKeyCBHTUOSMPPAHKF-UHFFFAOYSA-N
XLogP2.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-2-propan-2-ylpyrimidine (CID 54258906) is 4-(difluoromethoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-2-propan-2-ylpyrimidine is CC(C)c1nccc(OC(F)F)n1.
What is the InChIKey of 4-(difluoromethoxy)-2-propan-2-ylpyrimidine?
The InChIKey is CBHTUOSMPPAHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5(2)7-11-4-3-6(12-7)13-8(9)10/h3-5,8H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2-propan-2-ylpyrimidine?
4-(difluoromethoxy)-2-propan-2-ylpyrimidine has a molecular weight of 188.18 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 54258906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).