5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine

C12H15FN6 — CID 121020774

IUPAC5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
SMILESCn1ccnc1N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H15FN6/c1-17-3-2-14-12(17)19-6-4-18(5-7-19)11-15-8-10(13)9-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyAWQNCPKSAIFQRT-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.68
Rot. Bonds2

About 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine

5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 121020774) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
PubChem CID121020774
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine
SMILESCn1ccnc1N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H15FN6/c1-17-3-2-14-12(17)19-6-4-18(5-7-19)11-15-8-10(13)9-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyAWQNCPKSAIFQRT-UHFFFAOYSA-N
XLogP0.68
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine (CID 121020774) is 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine is Cn1ccnc1N1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is AWQNCPKSAIFQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c1-17-3-2-14-12(17)19-6-4-18(5-7-19)11-15-8-10(13)9-16-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 262.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 121020774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).