4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine

C14H19ClF4N4 — CID 133342926

IUPAC4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H19ClF4N4/c1-3-10-11(15)20-9(2)21-12(10)23-6-4-22(5-7-23)8-14(18,19)13(16)17/h13H,3-8H2,1-2H3
InChIKeyZTUYGMGKOCXOIY-UHFFFAOYSA-N
MW354.78 g/mol
LogP3.02
Rot. Bonds5

About 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine

4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine (PubChem CID 133342926) has the molecular formula C14H19ClF4N4 and a molecular weight of 354.78 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
PubChem CID133342926
Molecular FormulaC14H19ClF4N4
Molecular Weight354.78 g/mol
Exact Mass354.12
IUPAC Name4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H19ClF4N4/c1-3-10-11(15)20-9(2)21-12(10)23-6-4-22(5-7-23)8-14(18,19)13(16)17/h13H,3-8H2,1-2H3
InChIKeyZTUYGMGKOCXOIY-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine (CID 133342926) is 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine is CCc1c(Cl)nc(C)nc1N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The InChIKey is ZTUYGMGKOCXOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF4N4/c1-3-10-11(15)20-9(2)21-12(10)23-6-4-22(5-7-23)8-14(18,19)13(16)17/h13H,3-8H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine has a molecular weight of 354.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133342926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).