2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine

C9H12FIN2 — CID 164648907

IUPAC2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine
SMILESCc1nc(C(C)(C)C)nc(F)c1I
InChIInChI=1S/C9H12FIN2/c1-5-6(11)7(10)13-8(12-5)9(2,3)4/h1-4H3
InChIKeyZSEYOHXIEWXVRV-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.83
Rot. Bonds

About 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine

2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine (PubChem CID 164648907) has the molecular formula C9H12FIN2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine
PubChem CID164648907
Molecular FormulaC9H12FIN2
Molecular Weight294.11 g/mol
Exact Mass294.00
IUPAC Name2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine
SMILESCc1nc(C(C)(C)C)nc(F)c1I
InChIInChI=1S/C9H12FIN2/c1-5-6(11)7(10)13-8(12-5)9(2,3)4/h1-4H3
InChIKeyZSEYOHXIEWXVRV-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-chloro-5-iodo-6-methylpyrimidine
CID 66294575
2-butyl-4-fluoro-5-iodo-6-methylpyrimidine
CID 164648905
methyl 4-fluoro-5-iodo-6-methylpyrimidine-2-carboxylate
CID 164648909
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306310
2,4,6-trifluoro-5-iodopyrimidine
CID 143789968
5-iodo-2,4,6-trimethylpyrimidine
CID 10911871
5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine
CID 165466617
6-tert-butyl-2,8-dimethylpyrimido[5,4-d]pyrimidin-4-amine
CID 158554533
3,6-diiodo-2,4-dimethylpyridine
CID 155467914
2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 147039934
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
The IUPAC name of 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine (CID 164648907) is 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine is Cc1nc(C(C)(C)C)nc(F)c1I.
What is the InChIKey of 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
The InChIKey is ZSEYOHXIEWXVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN2/c1-5-6(11)7(10)13-8(12-5)9(2,3)4/h1-4H3.
What are the key properties of 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine has a molecular weight of 294.11 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 164648907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).