4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine

C16H19ClN2O2 — CID 63735708

IUPAC4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
SMILESCCCOc1ccccc1Oc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C16H19ClN2O2/c1-4-9-20-12-7-5-6-8-13(12)21-16-14(11(2)3)15(17)18-10-19-16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyVRFGTHIOVNOSCG-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.83
Rot. Bonds6

About 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine

4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine (PubChem CID 63735708) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
PubChem CID63735708
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
SMILESCCCOc1ccccc1Oc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C16H19ClN2O2/c1-4-9-20-12-7-5-6-8-13(12)21-16-14(11(2)3)15(17)18-10-19-16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyVRFGTHIOVNOSCG-UHFFFAOYSA-N
XLogP4.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine
CID 63734538
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
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-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
6-chloro-N-[3-(2-methylphenoxy)propyl]-5-propan-2-ylpyrimidin-4-amine
CID 13066830
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
[5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80917904
4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine
CID 63736036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine (CID 63735708) is 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine is CCCOc1ccccc1Oc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine?
The InChIKey is VRFGTHIOVNOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-9-20-12-7-5-6-8-13(12)21-16-14(11(2)3)15(17)18-10-19-16/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine?
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine has a molecular weight of 306.79 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine is sourced from PubChem (CID 63735708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).