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

C16H23FN6 — CID 59144861

IUPAC5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
SMILESCc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H23FN6/c1-14-10-20-23(13-14)5-3-2-4-21-6-8-22(9-7-21)16-18-11-15(17)12-19-16/h10-13H,2-9H2,1H3
InChIKeyMXFVLJBANGCQDE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.72
Rot. Bonds6

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

5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine (PubChem CID 59144861) has the molecular formula C16H23FN6 and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
PubChem CID59144861
Molecular FormulaC16H23FN6
Molecular Weight318.40 g/mol
Exact Mass318.20
IUPAC Name5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
SMILESCc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H23FN6/c1-14-10-20-23(13-14)5-3-2-4-21-6-8-22(9-7-21)16-18-11-15(17)12-19-16/h10-13H,2-9H2,1H3
InChIKeyMXFVLJBANGCQDE-UHFFFAOYSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
4-[(1S,4R)-5-(3-fluoropropyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-(1-methyl-1H-pyrazol-4-yl)pyrimidine-5-carbonitrile
CID 155405496
1-(4-ethyl-5-{1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70739864
6,6-Difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 118743283
1-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 11044366
5-Bromo-2-[4-[4-(4-bromopyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
CID 14726868
2-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]pyrimidine
CID 72853094
5-fluoro-N~2~,N~4~,N~4~-trimethyl-N~2~-[2-(1H-pyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 72913700
5-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)-N-propylpyrimidin-2-amine
CID 77092294
5-(1-methyl-5-piperidin-1-yl-1H-1,2,4-triazol-3-yl)pyrimidine
CID 121508155
5-fluoro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 121560827
1-(2-isopropylpyrimidin-5-yl)-N-methyl-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 131897622

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine (CID 59144861) is 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine is Cc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1.
What is the InChIKey of 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine?
The InChIKey is MXFVLJBANGCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6/c1-14-10-20-23(13-14)5-3-2-4-21-6-8-22(9-7-21)16-18-11-15(17)12-19-16/h10-13H,2-9H2,1H3.
What are the key properties of 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine has a molecular weight of 318.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 59144861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).