2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine

C14H11Cl2FN2O2 — CID 58075563

IUPAC2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine
SMILESFc1ccc(Cc2nc(Cl)nc(Cl)c2C2OCCO2)cc1
InChIInChI=1S/C14H11Cl2FN2O2/c15-12-11(13-20-5-6-21-13)10(18-14(16)19-12)7-8-1-3-9(17)4-2-8/h1-4,13H,5-7H2
InChIKeyGHLPNOGZPYXLFM-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.56
Rot. Bonds3

About 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine

2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine (PubChem CID 58075563) has the molecular formula C14H11Cl2FN2O2 and a molecular weight of 329.16 g/mol. Its IUPAC name is 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine
PubChem CID58075563
Molecular FormulaC14H11Cl2FN2O2
Molecular Weight329.16 g/mol
Exact Mass328.02
IUPAC Name2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine
SMILESFc1ccc(Cc2nc(Cl)nc(Cl)c2C2OCCO2)cc1
InChIInChI=1S/C14H11Cl2FN2O2/c15-12-11(13-20-5-6-21-13)10(18-14(16)19-12)7-8-1-3-9(17)4-2-8/h1-4,13H,5-7H2
InChIKeyGHLPNOGZPYXLFM-UHFFFAOYSA-N
XLogP3.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,3-Dioxolan-2-yl)-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide
CID 12001992
2,4-Dichloro-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine
CID 58075255
2,4-Dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
CID 58075496
2,4-dichloro-8-(3,4-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075539
2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075759
(2,4-Dichloro-6-(4-fluorobenzyl)pyrimidin-5-yl)methanol
CID 58075825
2-Chloro-5-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine
CID 77230163
2,4-dichloro-8-[4-(fluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 117772487
[4-Chloro-2-(2,6-difluorophenyl)-6-methylpyrimidin-5-yl]-ethoxymethanol
CID 129065211
5-Chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine
CID 139884491
2,4-Dichloro-5-(1,3-dioxol-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine
CID 141289924
2-Chloro-5-(1,3-dioxolan-2-yl)-4-[(4-fluorophenyl)methyl]pyrimidine
CID 174661041

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine (CID 58075563) is 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine is Fc1ccc(Cc2nc(Cl)nc(Cl)c2C2OCCO2)cc1.
What is the InChIKey of 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine?
The InChIKey is GHLPNOGZPYXLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O2/c15-12-11(13-20-5-6-21-13)10(18-14(16)19-12)7-8-1-3-9(17)4-2-8/h1-4,13H,5-7H2.
What are the key properties of 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine?
2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine has a molecular weight of 329.16 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 58075563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).