2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine

C13H10Cl2N2O2 — CID 11536698

IUPAC2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine
SMILESClc1cc(-c2ccc(C3OCCO3)cc2)nc(Cl)n1
InChIInChI=1S/C13H10Cl2N2O2/c14-11-7-10(16-13(15)17-11)8-1-3-9(4-2-8)12-18-5-6-19-12/h1-4,7,12H,5-6H2
InChIKeyXCIDODUJMGSIRF-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.50
Rot. Bonds2

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

2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine (PubChem CID 11536698) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine
PubChem CID11536698
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine
SMILESClc1cc(-c2ccc(C3OCCO3)cc2)nc(Cl)n1
InChIInChI=1S/C13H10Cl2N2O2/c14-11-7-10(16-13(15)17-11)8-1-3-9(4-2-8)12-18-5-6-19-12/h1-4,7,12H,5-6H2
InChIKeyXCIDODUJMGSIRF-UHFFFAOYSA-N
XLogP3.50
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-5-(1,3-dioxolan-2-yl)-6-[(4-fluorophenyl)methyl]pyrimidine
CID 58075563
2-Chloro-5-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine
CID 77230163
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
4-Chloro-5-fluoro-2-[4-(methoxymethyl)phenyl]-6-methylpyrimidine
CID 66000241
5-(4-Chlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine
CID 265483
2-[(2-Chlorobenzyl)oxy]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 2218349
2-[(2-Chlorophenyl)methoxy]-4,6-dimethylpyrimidine
CID 3427848
2-(Benzyloxy)-4-chloro-6-methylpyrimidine
CID 19693873
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
2,4-Dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 58075475

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine (CID 11536698) is 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine is Clc1cc(-c2ccc(C3OCCO3)cc2)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
The InChIKey is XCIDODUJMGSIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-11-7-10(16-13(15)17-11)8-1-3-9(4-2-8)12-18-5-6-19-12/h1-4,7,12H,5-6H2.
What are the key properties of 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine?
2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine has a molecular weight of 297.14 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[4-(1,3-dioxolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 11536698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).