2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine

C11H14F2N2O2 — CID 59876005

IUPAC2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine
SMILESCCCc1cnc(C2COC(F)(F)OC2)nc1
InChIInChI=1S/C11H14F2N2O2/c1-2-3-8-4-14-10(15-5-8)9-6-16-11(12,13)17-7-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyFHOZPGIIACUPHA-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.11
Rot. Bonds3

About 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine

2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine (PubChem CID 59876005) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine
PubChem CID59876005
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine
SMILESCCCc1cnc(C2COC(F)(F)OC2)nc1
InChIInChI=1S/C11H14F2N2O2/c1-2-3-8-4-14-10(15-5-8)9-6-16-11(12,13)17-7-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyFHOZPGIIACUPHA-UHFFFAOYSA-N
XLogP2.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-Difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
CID 50982072
2-Methyl-5-(tetrahydro-2H-pyran-4-yl)pyrimidine
CID 132531110
5-(3-Methylbutyl)-2-(trifluoromethyl)pyrimidine
CID 58449999
(2,2-Difluoro-1,3-dioxan-5-yl) 5-propylpyrimidine-2-carboxylate
CID 59876014
5-Butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine
CID 59876036
2-[(E)-2-(2,2-difluoro-1,3-dioxan-5-yl)ethenyl]-5-pentylpyrimidine
CID 59876052
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyrimidine
CID 66695258
5-Propyl-2-(trifluoromethyl)pyrimidine
CID 66695268
(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol
CID 67952574
5-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidine
CID 68256731
5-(2-Methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 70852917
2-[2-(2,2-Difluoro-1,3-dioxan-5-yl)ethenyl]-5-pentylpyrimidine
CID 72585161

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine?
The IUPAC name of 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine (CID 59876005) is 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine.
What is the SMILES notation for 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine?
The canonical SMILES for 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine is CCCc1cnc(C2COC(F)(F)OC2)nc1.
What is the InChIKey of 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine?
The InChIKey is FHOZPGIIACUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-3-8-4-14-10(15-5-8)9-6-16-11(12,13)17-7-9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine?
2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine has a molecular weight of 244.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine is sourced from PubChem (CID 59876005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).