6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine

C13H14N8 — CID 23605644

IUPAC6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
SMILESc1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1
InChIInChI=1S/C13H14N8/c1-2-14-13(15-3-1)21-6-4-20(5-7-21)12-10-11(17-8-16-10)18-9-19-12/h1-3,8-9H,4-7H2,(H,16,17,18,19)
InChIKeyHCGWOUNUNZPMMV-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.47
Rot. Bonds2

About 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine

6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine (PubChem CID 23605644) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
PubChem CID23605644
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
SMILESc1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1
InChIInChI=1S/C13H14N8/c1-2-14-13(15-3-1)21-6-4-20(5-7-21)12-10-11(17-8-16-10)18-9-19-12/h1-3,8-9H,4-7H2,(H,16,17,18,19)
InChIKeyHCGWOUNUNZPMMV-UHFFFAOYSA-N
XLogP0.47
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
CID 166605581
2-methyl-2-[4-(7H-purin-6-yl)piperazin-1-yl]propanenitrile
CID 63343521
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
CID 43252544
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199
2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476564
6-[4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-7H-purine
CID 77087305

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine?
The IUPAC name of 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine (CID 23605644) is 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine.
What is the SMILES notation for 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine?
The canonical SMILES for 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine is c1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1.
What is the InChIKey of 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine?
The InChIKey is HCGWOUNUNZPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-2-14-13(15-3-1)21-6-4-20(5-7-21)12-10-11(17-8-16-10)18-9-19-12/h1-3,8-9H,4-7H2,(H,16,17,18,19).
What are the key properties of 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine?
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine has a molecular weight of 282.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine is sourced from PubChem (CID 23605644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).