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

C9H12FIN2 — CID 164648905

IUPAC2-butyl-4-fluoro-5-iodo-6-methylpyrimidine
SMILESCCCCc1nc(C)c(I)c(F)n1
InChIInChI=1S/C9H12FIN2/c1-3-4-5-7-12-6(2)8(11)9(10)13-7/h3-5H2,1-2H3
InChIKeyYRGFBQPGRCPQGN-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.87
Rot. Bonds3

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

2-butyl-4-fluoro-5-iodo-6-methylpyrimidine (PubChem CID 164648905) has the molecular formula C9H12FIN2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name2-butyl-4-fluoro-5-iodo-6-methylpyrimidine
PubChem CID164648905
Molecular FormulaC9H12FIN2
Molecular Weight294.11 g/mol
Exact Mass294.00
IUPAC Name2-butyl-4-fluoro-5-iodo-6-methylpyrimidine
SMILESCCCCc1nc(C)c(I)c(F)n1
InChIInChI=1S/C9H12FIN2/c1-3-4-5-7-12-6(2)8(11)9(10)13-7/h3-5H2,1-2H3
InChIKeyYRGFBQPGRCPQGN-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.87
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

2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
CID 79412272
2-butyl-4-chloro-6-ethyl-5-iodopyrimidine
CID 79405219
3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 79412388
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79412709
4,6-dimethyl-2-propylpyrimidin-5-ol
CID 13173530
6-butyl-1,3,5-triazine-2,4-diamine
CID 18602
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine
CID 164648907
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
The IUPAC name of 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine (CID 164648905) is 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
The canonical SMILES for 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine is CCCCc1nc(C)c(I)c(F)n1.
What is the InChIKey of 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
The InChIKey is YRGFBQPGRCPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN2/c1-3-4-5-7-12-6(2)8(11)9(10)13-7/h3-5H2,1-2H3.
What are the key properties of 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine?
2-butyl-4-fluoro-5-iodo-6-methylpyrimidine has a molecular weight of 294.11 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-fluoro-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 164648905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).