4,6-dichloro-2-(4-propoxyphenyl)pyrimidine

C13H12Cl2N2O — CID 63612097

IUPAC4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-2-7-18-10-5-3-9(4-6-10)13-16-11(14)8-12(15)17-13/h3-6,8H,2,7H2,1H3
InChIKeyFCPTWUIETYEHPH-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.24
Rot. Bonds4

About 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine

4,6-dichloro-2-(4-propoxyphenyl)pyrimidine (PubChem CID 63612097) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
PubChem CID63612097
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-2-7-18-10-5-3-9(4-6-10)13-16-11(14)8-12(15)17-13/h3-6,8H,2,7H2,1H3
InChIKeyFCPTWUIETYEHPH-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
CID 63405375
4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine
CID 62496941
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495443
2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495779
4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
CID 54278545
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
3-chloro-5-(4-propoxyphenyl)-1,2,4-triazine
CID 82480729
2-chloro-6-propoxynaphthalene
CID 125116367
1-butoxy-4-[4-(chloromethyl)phenyl]benzene
CID 71424313

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine (CID 63612097) is 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine is CCCOc1ccc(-c2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine?
The InChIKey is FCPTWUIETYEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-2-7-18-10-5-3-9(4-6-10)13-16-11(14)8-12(15)17-13/h3-6,8H,2,7H2,1H3.
What are the key properties of 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine?
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine has a molecular weight of 283.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-propoxyphenyl)pyrimidine is sourced from PubChem (CID 63612097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).