4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine

C14H13Cl2FN2O — CID 116706640

IUPAC4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine
SMILESCCC(OC)c1nc(Cl)c(-c2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C14H13Cl2FN2O/c1-3-10(20-2)14-18-12(15)11(13(16)19-14)8-5-4-6-9(17)7-8/h4-7,10H,3H2,1-2H3
InChIKeySGVGJCURHWYVJU-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.69
Rot. Bonds4

About 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine

4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine (PubChem CID 116706640) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine
PubChem CID116706640
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine
SMILESCCC(OC)c1nc(Cl)c(-c2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C14H13Cl2FN2O/c1-3-10(20-2)14-18-12(15)11(13(16)19-14)8-5-4-6-9(17)7-8/h4-7,10H,3H2,1-2H3
InChIKeySGVGJCURHWYVJU-UHFFFAOYSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)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

4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
CID 116706347
methyl 4,6-dichloro-5-(3-fluorophenyl)pyrimidine-2-carboxylate
CID 79440276
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine
CID 79431922
5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621638
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
CID 115380846
5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine
CID 116706501
3-(3-fluorophenyl)-2-methoxy-4,6-dimethylpyridine
CID 141360585
3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(1-methoxypropyl)-1,2,4-oxadiazole
CID 71088301
4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706709
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
4-chloro-3-(3-fluorophenyl)-2-methylpyridine
CID 165448690

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine (CID 116706640) is 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine is CCC(OC)c1nc(Cl)c(-c2cccc(F)c2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine?
The InChIKey is SGVGJCURHWYVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-3-10(20-2)14-18-12(15)11(13(16)19-14)8-5-4-6-9(17)7-8/h4-7,10H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine?
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine has a molecular weight of 315.18 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine is sourced from PubChem (CID 116706640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).