5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

C11H16F2N4 — CID 138491874

IUPAC5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(CF)c(F)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H16F2N4/c1-8-14-9(7-12)10(13)11(15-8)17-5-3-16(2)4-6-17/h3-7H2,1-2H3
InChIKeyNEKWTUCZIPFLLC-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.15
Rot. Bonds2

About 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 138491874) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID138491874
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(CF)c(F)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H16F2N4/c1-8-14-9(7-12)10(13)11(15-8)17-5-3-16(2)4-6-17/h3-7H2,1-2H3
InChIKeyNEKWTUCZIPFLLC-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (CID 138491874) is 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is Cc1nc(CF)c(F)c(N2CCN(C)CC2)n1.
What is the InChIKey of 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is NEKWTUCZIPFLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-8-14-9(7-12)10(13)11(15-8)17-5-3-16(2)4-6-17/h3-7H2,1-2H3.
What are the key properties of 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 242.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 138491874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).