4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine

C14H14Cl2N2O — CID 82169635

IUPAC4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
SMILESCC(C)c1ccccc1OCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C14H14Cl2N2O/c1-9(2)10-5-3-4-6-11(10)19-8-14-17-12(15)7-13(16)18-14/h3-7,9H,8H2,1-2H3
InChIKeySMNYUYNSIJCIQE-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.49
Rot. Bonds4

About 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine

4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine (PubChem CID 82169635) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
PubChem CID82169635
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
SMILESCC(C)c1ccccc1OCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C14H14Cl2N2O/c1-9(2)10-5-3-4-6-11(10)19-8-14-17-12(15)7-13(16)18-14/h3-7,9H,8H2,1-2H3
InChIKeySMNYUYNSIJCIQE-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80610479
2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 82168708
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
CID 82169650
1-[(2-propan-2-ylphenoxy)methyl]naphthalene
CID 60627391
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine (CID 82169635) is 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine is CC(C)c1ccccc1OCc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine?
The InChIKey is SMNYUYNSIJCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9(2)10-5-3-4-6-11(10)19-8-14-17-12(15)7-13(16)18-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine?
4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine has a molecular weight of 297.19 g/mol, XLogP of 4.49, 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-[(2-propan-2-ylphenoxy)methyl]pyrimidine is sourced from PubChem (CID 82169635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).