2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine

C13H11Cl3N2O — CID 147120637

IUPAC2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine
SMILESCOc1cc(Cc2nc(Cl)ncc2Cl)c(C)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-7-3-9(14)12(19-2)5-8(7)4-11-10(15)6-17-13(16)18-11/h3,5-6H,4H2,1-2H3
InChIKeyBOHDCOZUMAIMKS-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.34
Rot. Bonds3

About 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine

2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine (PubChem CID 147120637) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine
PubChem CID147120637
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine
SMILESCOc1cc(Cc2nc(Cl)ncc2Cl)c(C)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-7-3-9(14)12(19-2)5-8(7)4-11-10(15)6-17-13(16)18-11/h3,5-6H,4H2,1-2H3
InChIKeyBOHDCOZUMAIMKS-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
CID 158566394
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
CID 130691517
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine?
The IUPAC name of 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine (CID 147120637) is 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine is COc1cc(Cc2nc(Cl)ncc2Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine?
The InChIKey is BOHDCOZUMAIMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-7-3-9(14)12(19-2)5-8(7)4-11-10(15)6-17-13(16)18-11/h3,5-6H,4H2,1-2H3.
What are the key properties of 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine?
2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine has a molecular weight of 317.60 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine is sourced from PubChem (CID 147120637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).