2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine

C14H23FN2 — CID 146377568

IUPAC2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1nc(F)ncc1C
InChIInChI=1S/C14H23FN2/c1-5-7-8-9-14(4,6-2)12-11(3)10-16-13(15)17-12/h10H,5-9H2,1-4H3
InChIKeyMAHXWVWUYBLSOD-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.17
Rot. Bonds6

About 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine

2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine (PubChem CID 146377568) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine
PubChem CID146377568
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1nc(F)ncc1C
InChIInChI=1S/C14H23FN2/c1-5-7-8-9-14(4,6-2)12-11(3)10-16-13(15)17-12/h10H,5-9H2,1-4H3
InChIKeyMAHXWVWUYBLSOD-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.17
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

5H-Cyclopenta[H]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-
CID 68162365
5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
2-Methyl-5,6-cyclopentapyrimidine
CID 160264
5,6,7,8-Tetrahydroquinazoline
CID 637537
5-Bromo-4-(tert-butyl)pyrimidine
CID 12461862
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
2-Methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
CID 12450612
4-Isobutylpyrimidine
CID 565104
6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 11829418

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine?
The IUPAC name of 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine (CID 146377568) is 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine.
What is the SMILES notation for 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine?
The canonical SMILES for 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine is CCCCCC(C)(CC)c1nc(F)ncc1C.
What is the InChIKey of 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine?
The InChIKey is MAHXWVWUYBLSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-7-8-9-14(4,6-2)12-11(3)10-16-13(15)17-12/h10H,5-9H2,1-4H3.
What are the key properties of 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine?
2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine has a molecular weight of 238.35 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-(3-methyloctan-3-yl)pyrimidine is sourced from PubChem (CID 146377568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).