6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine

C14H15FN8 — CID 154853588

IUPAC6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
SMILESCn1cnc2ncnc(N3CCN(c4ncc(F)cn4)CC3)c21
InChIInChI=1S/C14H15FN8/c1-21-9-20-12-11(21)13(19-8-18-12)22-2-4-23(5-3-22)14-16-6-10(15)7-17-14/h6-9H,2-5H2,1H3
InChIKeyUZMBLLIINUYADP-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.62
Rot. Bonds2

About 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine

6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine (PubChem CID 154853588) has the molecular formula C14H15FN8 and a molecular weight of 314.33 g/mol. Its IUPAC name is 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine.

Molecular Properties

Compound Name6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
PubChem CID154853588
Molecular FormulaC14H15FN8
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
SMILESCn1cnc2ncnc(N3CCN(c4ncc(F)cn4)CC3)c21
InChIInChI=1S/C14H15FN8/c1-21-9-20-12-11(21)13(19-8-18-12)22-2-4-23(5-3-22)14-16-6-10(15)7-17-14/h6-9H,2-5H2,1H3
InChIKeyUZMBLLIINUYADP-UHFFFAOYSA-N
XLogP0.62
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-7-methylpurine
CID 163352063
6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
CID 163344430
7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
CID 163352347
2-[(4-fluorophenyl)methyl]-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163357374
7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 154853672
7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 155798866
[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320294
6-(4-imidazo[1,2-b]pyridazin-6-yl-1,4-diazepan-1-yl)-7-methylpurine
CID 163344989
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 155798932
N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 171323725

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine?
The IUPAC name of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine (CID 154853588) is 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine.
What is the SMILES notation for 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine?
The canonical SMILES for 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine is Cn1cnc2ncnc(N3CCN(c4ncc(F)cn4)CC3)c21.
What is the InChIKey of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine?
The InChIKey is UZMBLLIINUYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN8/c1-21-9-20-12-11(21)13(19-8-18-12)22-2-4-23(5-3-22)14-16-6-10(15)7-17-14/h6-9H,2-5H2,1H3.
What are the key properties of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine?
6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine has a molecular weight of 314.33 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine is sourced from PubChem (CID 154853588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).