4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine

C12H17ClF2N4 — CID 130254236

IUPAC4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine
SMILESCCCN1CCN(c2ncnc(Cl)c2F)CC1CF
InChIInChI=1S/C12H17ClF2N4/c1-2-3-18-4-5-19(7-9(18)6-14)12-10(15)11(13)16-8-17-12/h8-9H,2-7H2,1H3
InChIKeyWILYVQWBXXFMMM-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.14
Rot. Bonds4

About 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine

4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine (PubChem CID 130254236) has the molecular formula C12H17ClF2N4 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine
PubChem CID130254236
Molecular FormulaC12H17ClF2N4
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC Name4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine
SMILESCCCN1CCN(c2ncnc(Cl)c2F)CC1CF
InChIInChI=1S/C12H17ClF2N4/c1-2-3-18-4-5-19(7-9(18)6-14)12-10(15)11(13)16-8-17-12/h8-9H,2-7H2,1H3
InChIKeyWILYVQWBXXFMMM-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine 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-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine (CID 130254236) is 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine is CCCN1CCN(c2ncnc(Cl)c2F)CC1CF.
What is the InChIKey of 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine?
The InChIKey is WILYVQWBXXFMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF2N4/c1-2-3-18-4-5-19(7-9(18)6-14)12-10(15)11(13)16-8-17-12/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine?
4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine has a molecular weight of 290.75 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-[3-(fluoromethyl)-4-propylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 130254236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).