4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine

C14H14Cl2N2O — CID 80949504

IUPAC4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
SMILESCc1cc(Oc2cc(Cl)nc(C(C)C)n2)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)14-17-12(16)7-13(18-14)19-10-4-5-11(15)9(3)6-10/h4-8H,1-3H3
InChIKeyKIDWFKYIVOARDL-UHFFFAOYSA-N
MW297.19 g/mol
LogP5.01
Rot. Bonds3

About 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine

4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine (PubChem CID 80949504) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
PubChem CID80949504
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
SMILESCc1cc(Oc2cc(Cl)nc(C(C)C)n2)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)14-17-12(16)7-13(18-14)19-10-4-5-11(15)9(3)6-10/h4-8H,1-3H3
InChIKeyKIDWFKYIVOARDL-UHFFFAOYSA-N
XLogP5.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
CID 114070716
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
CID 13175431
4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
CID 80944929
4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948461
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657756
1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
CID 67952517
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine (CID 80949504) is 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine is Cc1cc(Oc2cc(Cl)nc(C(C)C)n2)ccc1Cl.
What is the InChIKey of 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine?
The InChIKey is KIDWFKYIVOARDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8(2)14-17-12(16)7-13(18-14)19-10-4-5-11(15)9(3)6-10/h4-8H,1-3H3.
What are the key properties of 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine?
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine has a molecular weight of 297.19 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80949504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).