2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine

C14H18F2N2O — CID 154524207

IUPAC2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine
SMILESCCCCCc1cnc(C2=COC(F)(F)CC2)nc1
InChIInChI=1S/C14H18F2N2O/c1-2-3-4-5-11-8-17-13(18-9-11)12-6-7-14(15,16)19-10-12/h8-10H,2-7H2,1H3
InChIKeyMGEDHVHUGJIWLT-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.95
Rot. Bonds5

About 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine

2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine (PubChem CID 154524207) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine.

Molecular Properties

Compound Name2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine
PubChem CID154524207
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine
SMILESCCCCCc1cnc(C2=COC(F)(F)CC2)nc1
InChIInChI=1S/C14H18F2N2O/c1-2-3-4-5-11-8-17-13(18-9-11)12-6-7-14(15,16)19-10-12/h8-10H,2-7H2,1H3
InChIKeyMGEDHVHUGJIWLT-UHFFFAOYSA-N
XLogP3.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.95
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

5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine
CID 154524312
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784
5-hexyl-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 22090391
2-[4-(3,5-difluoro-4-methylphenyl)-3,5-difluorophenyl]-5-heptylpyrimidine
CID 20708824

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine?
The IUPAC name of 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine (CID 154524207) is 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine.
What is the SMILES notation for 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine?
The canonical SMILES for 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine is CCCCCc1cnc(C2=COC(F)(F)CC2)nc1.
What is the InChIKey of 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine?
The InChIKey is MGEDHVHUGJIWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-2-3-4-5-11-8-17-13(18-9-11)12-6-7-14(15,16)19-10-12/h8-10H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine?
2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine has a molecular weight of 268.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine is sourced from PubChem (CID 154524207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).