2-fluoro-5-(3-methylnonan-3-yl)pyrimidine

C14H23FN2 — CID 126514095

IUPAC2-fluoro-5-(3-methylnonan-3-yl)pyrimidine
SMILESCCCCCCC(C)(CC)c1cnc(F)nc1
InChIInChI=1S/C14H23FN2/c1-4-6-7-8-9-14(3,5-2)12-10-16-13(15)17-11-12/h10-11H,4-9H2,1-3H3
InChIKeyUOKBLPIMFJVEJE-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.25
Rot. Bonds7

About 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine

2-fluoro-5-(3-methylnonan-3-yl)pyrimidine (PubChem CID 126514095) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-fluoro-5-(3-methylnonan-3-yl)pyrimidine
PubChem CID126514095
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-fluoro-5-(3-methylnonan-3-yl)pyrimidine
SMILESCCCCCCC(C)(CC)c1cnc(F)nc1
InChIInChI=1S/C14H23FN2/c1-4-6-7-8-9-14(3,5-2)12-10-16-13(15)17-11-12/h10-11H,4-9H2,1-3H3
InChIKeyUOKBLPIMFJVEJE-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Heptafluoropropyl)pyrimidine
CID 119085065
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
2-Chloro-5-decylpyrimidine
CID 22099083
5-Butyl-2-pyrimidinamine
CID 45071698
5-Butylpyrimidine
CID 18952838
2-Chloro-5-(cyclohexyl)pyrimidine
CID 66520029
2,4-Dichloro-5-cyclohexylpyrimidine
CID 117260859
2-Ethoxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine
CID 86220867
2-Azido-5-n-butylpyrimidin
CID 23278869
5-Heptyl-2-methylpyrimidine
CID 13660600

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine?
The IUPAC name of 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine (CID 126514095) is 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine.
What is the SMILES notation for 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine?
The canonical SMILES for 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine is CCCCCCC(C)(CC)c1cnc(F)nc1.
What is the InChIKey of 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine?
The InChIKey is UOKBLPIMFJVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-6-7-8-9-14(3,5-2)12-10-16-13(15)17-11-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine?
2-fluoro-5-(3-methylnonan-3-yl)pyrimidine has a molecular weight of 238.35 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methylnonan-3-yl)pyrimidine is sourced from PubChem (CID 126514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).