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

C11H8Cl2N2O — CID 10800977

IUPAC4,6-dichloro-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)16-11-14-9(12)6-10(13)15-11/h2-6H,1H3
InChIKeyJXJBSAZQKJXVJC-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.88
Rot. Bonds2

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

4,6-dichloro-2-(4-methylphenoxy)pyrimidine (PubChem CID 10800977) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-methylphenoxy)pyrimidine
PubChem CID10800977
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name4,6-dichloro-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)16-11-14-9(12)6-10(13)15-11/h2-6H,1H3
InChIKeyJXJBSAZQKJXVJC-UHFFFAOYSA-N
XLogP3.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-methylphenoxy)pyrimidine
CID 22675087
2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 169281032
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
2-chloro-6-(4-methylphenoxy)pyrazine
CID 60726835
4-chloro-6-methyl-2-pyridin-3-yloxypyrimidine
CID 134341161
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
2-chloro-4-methyl-5-(4-methylphenoxy)pyridine
CID 82225259
4,6-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]-N,N-bis(4-methylphenyl)-1,3,5-triazin-2-amine
CID 59533037
4-methyl-2-(4-methylphenoxy)pyrimidine
CID 155309034

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-methylphenoxy)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-methylphenoxy)pyrimidine (CID 10800977) is 4,6-dichloro-2-(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-methylphenoxy)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-methylphenoxy)pyrimidine is Cc1ccc(Oc2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-methylphenoxy)pyrimidine?
The InChIKey is JXJBSAZQKJXVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)16-11-14-9(12)6-10(13)15-11/h2-6H,1H3.
What are the key properties of 4,6-dichloro-2-(4-methylphenoxy)pyrimidine?
4,6-dichloro-2-(4-methylphenoxy)pyrimidine has a molecular weight of 255.10 g/mol, XLogP of 3.88, 2 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-methylphenoxy)pyrimidine is sourced from PubChem (CID 10800977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).