5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine

C12H15FN6 — CID 174342998

IUPAC5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine
SMILESFc1cnc(N2CCN(Cc3cnc[nH]3)CC2)nc1
InChIInChI=1S/C12H15FN6/c13-10-5-15-12(16-6-10)19-3-1-18(2-4-19)8-11-7-14-9-17-11/h5-7,9H,1-4,8H2,(H,14,17)
InChIKeyUZWLPERZBMDADW-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.66
Rot. Bonds3

About 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine

5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 174342998) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID174342998
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine
SMILESFc1cnc(N2CCN(Cc3cnc[nH]3)CC2)nc1
InChIInChI=1S/C12H15FN6/c13-10-5-15-12(16-6-10)19-3-1-18(2-4-19)8-11-7-14-9-17-11/h5-7,9H,1-4,8H2,(H,14,17)
InChIKeyUZWLPERZBMDADW-UHFFFAOYSA-N
XLogP0.66
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine (CID 174342998) is 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine is Fc1cnc(N2CCN(Cc3cnc[nH]3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is UZWLPERZBMDADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c13-10-5-15-12(16-6-10)19-3-1-18(2-4-19)8-11-7-14-9-17-11/h5-7,9H,1-4,8H2,(H,14,17).
What are the key properties of 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 262.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 174342998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).