2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

C10H8F3IN4O — CID 12056712

IUPAC2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(I)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H8F3IN4O/c1-5-4-15-9(14)16-8(5)19-7-3-6(10(11,12)13)17-18(7)2/h3-4H,1-2H3
InChIKeyIKVFEQWSUQNAIM-UHFFFAOYSA-N
MW384.10 g/mol
LogP2.93
Rot. Bonds2

About 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (PubChem CID 12056712) has the molecular formula C10H8F3IN4O and a molecular weight of 384.10 g/mol. Its IUPAC name is 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.

Molecular Properties

Compound Name2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
PubChem CID12056712
Molecular FormulaC10H8F3IN4O
Molecular Weight384.10 g/mol
Exact Mass383.97
IUPAC Name2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(I)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H8F3IN4O/c1-5-4-15-9(14)16-8(5)19-7-3-6(10(11,12)13)17-18(7)2/h3-4H,1-2H3
InChIKeyIKVFEQWSUQNAIM-UHFFFAOYSA-N
XLogP2.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.10
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The IUPAC name of 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (CID 12056712) is 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.
What is the SMILES notation for 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The canonical SMILES for 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is Cc1cnc(I)nc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The InChIKey is IKVFEQWSUQNAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3IN4O/c1-5-4-15-9(14)16-8(5)19-7-3-6(10(11,12)13)17-18(7)2/h3-4H,1-2H3.
What are the key properties of 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine has a molecular weight of 384.10 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is sourced from PubChem (CID 12056712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).