4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine

C15H17ClN2O2 — CID 43557702

IUPAC4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H17ClN2O2/c1-4-5-10-8-14(16)18-15(17-10)12-7-6-11(19-2)9-13(12)20-3/h6-9H,4-5H2,1-3H3
InChIKeyPLTZTFSEUPQPMN-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine

4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine (PubChem CID 43557702) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
PubChem CID43557702
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H17ClN2O2/c1-4-5-10-8-14(16)18-15(17-10)12-7-6-11(19-2)9-13(12)20-3/h6-9H,4-5H2,1-3H3
InChIKeyPLTZTFSEUPQPMN-UHFFFAOYSA-N
XLogP3.77
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
CID 116823727
2-(2-methoxy-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 106793002
4-chloro-2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 63549144
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
6-(2,4-dimethoxyphenyl)-2-propylpyrimidin-4-amine
CID 80946280
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxypyrimidin-5-amine
CID 22324338
8-(4-chloro-6-propylpyrimidin-2-yl)quinoline
CID 63969297
1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene
CID 143904516
2-(2,4-dimethoxyphenyl)-5-hydroxyimidazo[4,5-c]pyridine
CID 13175388
1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane
CID 143904515
4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 65096680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine (CID 43557702) is 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2ccc(OC)cc2OC)n1.
What is the InChIKey of 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine?
The InChIKey is PLTZTFSEUPQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-4-5-10-8-14(16)18-15(17-10)12-7-6-11(19-2)9-13(12)20-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine?
4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine has a molecular weight of 292.77 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine is sourced from PubChem (CID 43557702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).