4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine

C12H16F4N4 — CID 133304383

IUPAC4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCN(CC(F)(F)C(F)F)CC2)n1
InChIInChI=1S/C12H16F4N4/c1-9-2-3-17-11(18-9)20-6-4-19(5-7-20)8-12(15,16)10(13)14/h2-3,10H,4-8H2,1H3
InChIKeyKRKJPIAUXRRFJS-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.81
Rot. Bonds4

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

4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine (PubChem CID 133304383) has the molecular formula C12H16F4N4 and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
PubChem CID133304383
Molecular FormulaC12H16F4N4
Molecular Weight292.28 g/mol
Exact Mass292.13
IUPAC Name4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCN(CC(F)(F)C(F)F)CC2)n1
InChIInChI=1S/C12H16F4N4/c1-9-2-3-17-11(18-9)20-6-4-19(5-7-20)8-12(15,16)10(13)14/h2-3,10H,4-8H2,1H3
InChIKeyKRKJPIAUXRRFJS-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole
CID 133351981
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 166604628
4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 126853610
2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800537
5-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 163345680
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine (CID 133304383) is 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine is Cc1ccnc(N2CCN(CC(F)(F)C(F)F)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The InChIKey is KRKJPIAUXRRFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N4/c1-9-2-3-17-11(18-9)20-6-4-19(5-7-20)8-12(15,16)10(13)14/h2-3,10H,4-8H2,1H3.
What are the key properties of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine has a molecular weight of 292.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133304383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).