4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine

C14H13Cl2FN2 — CID 55216444

IUPAC4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(Cc2cccc(F)c2)nc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-2-4-11-13(15)18-12(19-14(11)16)8-9-5-3-6-10(17)7-9/h3,5-7H,2,4,8H2,1H3
InChIKeyWZUXRFBSUWBCBO-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.47
Rot. Bonds4

About 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine

4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine (PubChem CID 55216444) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine
PubChem CID55216444
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(Cc2cccc(F)c2)nc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-2-4-11-13(15)18-12(19-14(11)16)8-9-5-3-6-10(17)7-9/h3,5-7H,2,4,8H2,1H3
InChIKeyWZUXRFBSUWBCBO-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine (CID 55216444) is 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine is CCCc1c(Cl)nc(Cc2cccc(F)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine?
The InChIKey is WZUXRFBSUWBCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-2-4-11-13(15)18-12(19-14(11)16)8-9-5-3-6-10(17)7-9/h3,5-7H,2,4,8H2,1H3.
What are the key properties of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine?
4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine has a molecular weight of 299.18 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propylpyrimidine is sourced from PubChem (CID 55216444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).