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

C15H21FN6 — CID 50972370

IUPAC5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCCCn1ccnc1CN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C15H21FN6/c1-2-4-21-5-3-17-14(21)12-20-6-8-22(9-7-20)15-18-10-13(16)11-19-15/h3,5,10-11H,2,4,6-9,12H2,1H3
InChIKeyLJTKVNUMSKGWNN-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.54
Rot. Bonds5

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

5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 50972370) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID50972370
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCCCn1ccnc1CN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C15H21FN6/c1-2-4-21-5-3-17-14(21)12-20-6-8-22(9-7-20)15-18-10-13(16)11-19-15/h3,5,10-11H,2,4,6-9,12H2,1H3
InChIKeyLJTKVNUMSKGWNN-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine
CID 77092371
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 70782561
2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 50973959
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337
(3S,4R)-4-(hydroxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 56899943
(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 77098146
1-(2-chloroethyl)-4-(5-fluoropyrimidin-2-yl)-1,4-diazepane
CID 104606670
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99931486
1-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine (CID 50972370) is 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine is CCCn1ccnc1CN1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is LJTKVNUMSKGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c1-2-4-21-5-3-17-14(21)12-20-6-8-22(9-7-20)15-18-10-13(16)11-19-15/h3,5,10-11H,2,4,6-9,12H2,1H3.
What are the key properties of 5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 304.37 g/mol, XLogP of 1.54, 5 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-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 50972370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).