2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine

C14H12ClFN2O2 — CID 174661041

IUPAC2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine
SMILESFc1ccc(Cc2nc(Cl)ncc2C2OCCO2)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-14-17-8-11(13-19-5-6-20-13)12(18-14)7-9-1-3-10(16)4-2-9/h1-4,8,13H,5-7H2
InChIKeyCDBKGDONMZOWMD-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine

2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine (PubChem CID 174661041) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine
PubChem CID174661041
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine
SMILESFc1ccc(Cc2nc(Cl)ncc2C2OCCO2)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-14-17-8-11(13-19-5-6-20-13)12(18-14)7-9-1-3-10(16)4-2-9/h1-4,8,13H,5-7H2
InChIKeyCDBKGDONMZOWMD-UHFFFAOYSA-N
XLogP2.91
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-((Allyloxy)methyl)phenyl)-2-chloropyrimidine
CID 53363692
5-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 164638708
N-[5-(1,3-Dioxolan-2-yl)-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide
CID 12001992
4-[Chloro(difluoro)methyl]-5-[(4-fluorophenyl)-propan-2-yloxymethyl]pyrimidine
CID 19700343
[4-(4-Fluorophenyl)pyrimidin-5-yl]methanol
CID 46941732
2,4-Dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine
CID 58075563
5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-4-(4-fluorophenyl)-N,N-dimethyl-6-propan-2-ylpyrimidin-2-amine
CID 68042516
4-(2-Fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)-2-methylsulfanylpyrimidine
CID 70326542
4-[4-(2-Fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine
CID 70326545
4-(2-Fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)-2-methylsulfinylpyrimidine
CID 70326559
5-Fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine
CID 71273030
5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine
CID 71276291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine?
The IUPAC name of 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine (CID 174661041) is 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine?
The canonical SMILES for 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine is Fc1ccc(Cc2nc(Cl)ncc2C2OCCO2)cc1.
What is the InChIKey of 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine?
The InChIKey is CDBKGDONMZOWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-14-17-8-11(13-19-5-6-20-13)12(18-14)7-9-1-3-10(16)4-2-9/h1-4,8,13H,5-7H2.
What are the key properties of 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine?
2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine has a molecular weight of 294.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 174661041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).