2-fluoro-4-pentoxypyrimidine

C9H13FN2O — CID 151029589

IUPAC2-fluoro-4-pentoxypyrimidine
SMILESCCCCCOc1ccnc(F)n1
InChIInChI=1S/C9H13FN2O/c1-2-3-4-7-13-8-5-6-11-9(10)12-8/h5-6H,2-4,7H2,1H3
InChIKeyLZTQJDZXIYOQQW-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.18
Rot. Bonds5

About 2-fluoro-4-pentoxypyrimidine

2-fluoro-4-pentoxypyrimidine (PubChem CID 151029589) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-fluoro-4-pentoxypyrimidine.

Molecular Properties

Compound Name2-fluoro-4-pentoxypyrimidine
PubChem CID151029589
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-fluoro-4-pentoxypyrimidine
SMILESCCCCCOc1ccnc(F)n1
InChIInChI=1S/C9H13FN2O/c1-2-3-4-7-13-8-5-6-11-9(10)12-8/h5-6H,2-4,7H2,1H3
InChIKeyLZTQJDZXIYOQQW-UHFFFAOYSA-N
XLogP2.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethoxypyrimidine
CID 137976
Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
4-Methoxy-2-pyrimidinamine
CID 67428
4-Methoxy-N-methyl-2-pyrimidinamine
CID 23422138
4-Methoxy-2-methylpyrimidine
CID 535905
[1-[(2-Aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol
CID 122536304
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
2-Chloro-4-methoxypyrimidine
CID 588935
2-Fluoro-4-methoxypyrimidine
CID 21791027
Bis-Pro-5FU
CID 155118873
2,4-Diethoxypyrimidine
CID 224854
4-Methoxypyrimidine
CID 303830

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pentoxypyrimidine?
The IUPAC name of 2-fluoro-4-pentoxypyrimidine (CID 151029589) is 2-fluoro-4-pentoxypyrimidine.
What is the SMILES notation for 2-fluoro-4-pentoxypyrimidine?
The canonical SMILES for 2-fluoro-4-pentoxypyrimidine is CCCCCOc1ccnc(F)n1.
What is the InChIKey of 2-fluoro-4-pentoxypyrimidine?
The InChIKey is LZTQJDZXIYOQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-2-3-4-7-13-8-5-6-11-9(10)12-8/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-fluoro-4-pentoxypyrimidine?
2-fluoro-4-pentoxypyrimidine has a molecular weight of 184.21 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pentoxypyrimidine is sourced from PubChem (CID 151029589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).