4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine

C15H17ClN2O3 — CID 63736223

IUPAC4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
SMILESCOc1cccc(OC)c1Oc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H17ClN2O3/c1-9(2)12-14(16)17-8-18-15(12)21-13-10(19-3)6-5-7-11(13)20-4/h5-9H,1-4H3
InChIKeySMJMDALXDUBQEQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.06
Rot. Bonds5

About 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine (PubChem CID 63736223) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
PubChem CID63736223
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
SMILESCOc1cccc(OC)c1Oc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H17ClN2O3/c1-9(2)12-14(16)17-8-18-15(12)21-13-10(19-3)6-5-7-11(13)20-4/h5-9H,1-4H3
InChIKeySMJMDALXDUBQEQ-UHFFFAOYSA-N
XLogP4.06
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
CID 82810915
4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 83232893
3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271828
4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63736070
4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
CID 79917584
4-chloro-6-(2,6-dimethoxyphenoxy)-2,5-dimethylpyrimidine
CID 63736403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine (CID 63736223) is 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine is COc1cccc(OC)c1Oc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine?
The InChIKey is SMJMDALXDUBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9(2)12-14(16)17-8-18-15(12)21-13-10(19-3)6-5-7-11(13)20-4/h5-9H,1-4H3.
What are the key properties of 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine has a molecular weight of 308.77 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63736223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).