4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine

C14H12Cl2N2O2 — CID 58075790

IUPAC4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
SMILESClc1nc(Cl)c(C2OCCO2)c(Cc2ccccc2)n1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-11(13-19-6-7-20-13)10(17-14(16)18-12)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyVPMHZALLGWQRJK-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.42
Rot. Bonds3

About 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine

4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine (PubChem CID 58075790) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
PubChem CID58075790
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
SMILESClc1nc(Cl)c(C2OCCO2)c(Cc2ccccc2)n1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-11(13-19-6-7-20-13)10(17-14(16)18-12)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyVPMHZALLGWQRJK-UHFFFAOYSA-N
XLogP3.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine
CID 58075563
(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
[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
5-(4-Chlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine
CID 265483
5-[2-[2-(4-Chlorophenyl)-1,3-dioxolan-2-yl]ethynyl]-6-methylpyrimidine-2,4-diamine
CID 21467968
4-Chloro-6-[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]pyrimidin-2-amine
CID 23570307

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The IUPAC name of 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine (CID 58075790) is 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine.
What is the SMILES notation for 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The canonical SMILES for 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine is Clc1nc(Cl)c(C2OCCO2)c(Cc2ccccc2)n1.
What is the InChIKey of 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The InChIKey is VPMHZALLGWQRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-11(13-19-6-7-20-13)10(17-14(16)18-12)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2.
What are the key properties of 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine has a molecular weight of 311.17 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine is sourced from PubChem (CID 58075790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).