4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine

C12H10Cl2N2O — CID 24902174

IUPAC4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2cc(Cl)ncn2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-2-17-11-4-3-8(5-9(11)13)10-6-12(14)16-7-15-10/h3-7H,2H2,1H3
InChIKeyVMRGICIOSMSTNJ-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.85
Rot. Bonds3

About 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine

4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine (PubChem CID 24902174) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
PubChem CID24902174
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2cc(Cl)ncn2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-2-17-11-4-3-8(5-9(11)13)10-6-12(14)16-7-15-10/h3-7H,2H2,1H3
InChIKeyVMRGICIOSMSTNJ-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
ethyl 4-(6-chloropyrimidin-4-yl)-2-ethoxybenzoate
CID 135333692
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
CID 96667491
2-(bromomethyl)-4-(3-chloro-4-ethoxyphenyl)-1,3-thiazole
CID 116970308
4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
CID 116879693
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
4-(6-chloropyrimidin-4-yl)-2-ethoxybenzonitrile;3-oxobutanoic acid
CID 174908478
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine (CID 24902174) is 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine is CCOc1ccc(-c2cc(Cl)ncn2)cc1Cl.
What is the InChIKey of 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine?
The InChIKey is VMRGICIOSMSTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-2-17-11-4-3-8(5-9(11)13)10-6-12(14)16-7-15-10/h3-7H,2H2,1H3.
What are the key properties of 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine?
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine is sourced from PubChem (CID 24902174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).