4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine

C11H16ClFN4 — CID 130253889

IUPAC4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine
SMILESCCCN1CCN(c2ncnc(Cl)c2F)CC1
InChIInChI=1S/C11H16ClFN4/c1-2-3-16-4-6-17(7-5-16)11-9(13)10(12)14-8-15-11/h8H,2-7H2,1H3
InChIKeyTYFNAEJUHYDYFN-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.80
Rot. Bonds3

About 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine

4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine (PubChem CID 130253889) has the molecular formula C11H16ClFN4 and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine
PubChem CID130253889
Molecular FormulaC11H16ClFN4
Molecular Weight258.73 g/mol
Exact Mass258.10
IUPAC Name4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine
SMILESCCCN1CCN(c2ncnc(Cl)c2F)CC1
InChIInChI=1S/C11H16ClFN4/c1-2-3-16-4-6-17(7-5-16)11-9(13)10(12)14-8-15-11/h8H,2-7H2,1H3
InChIKeyTYFNAEJUHYDYFN-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine (CID 130253889) is 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine is CCCN1CCN(c2ncnc(Cl)c2F)CC1.
What is the InChIKey of 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine?
The InChIKey is TYFNAEJUHYDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN4/c1-2-3-16-4-6-17(7-5-16)11-9(13)10(12)14-8-15-11/h8H,2-7H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine?
4-chloro-5-fluoro-6-(4-propylpiperazin-1-yl)pyrimidine has a molecular weight of 258.73 g/mol, XLogP of 1.80, 3 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-(4-propylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 130253889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).