5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine

C14H20F2N2O2 — CID 59876036

IUPAC5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine
SMILESCCCCc1cnc(CCC2COC(F)(F)OC2)nc1
InChIInChI=1S/C14H20F2N2O2/c1-2-3-4-11-7-17-13(18-8-11)6-5-12-9-19-14(15,16)20-10-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyRUQDTRAFBUKGEX-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.97
Rot. Bonds6

About 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine

5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine (PubChem CID 59876036) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine.

Molecular Properties

Compound Name5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine
PubChem CID59876036
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine
SMILESCCCCc1cnc(CCC2COC(F)(F)OC2)nc1
InChIInChI=1S/C14H20F2N2O2/c1-2-3-4-11-7-17-13(18-8-11)6-5-12-9-19-14(15,16)20-10-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyRUQDTRAFBUKGEX-UHFFFAOYSA-N
XLogP2.97
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine?
The IUPAC name of 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine (CID 59876036) is 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine.
What is the SMILES notation for 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine?
The canonical SMILES for 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine is CCCCc1cnc(CCC2COC(F)(F)OC2)nc1.
What is the InChIKey of 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine?
The InChIKey is RUQDTRAFBUKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-3-4-11-7-17-13(18-8-11)6-5-12-9-19-14(15,16)20-10-12/h7-8,12H,2-6,9-10H2,1H3.
What are the key properties of 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine?
5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine has a molecular weight of 286.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine is sourced from PubChem (CID 59876036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).