4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline

C18H18N8 — CID 154853696

IUPAC4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
SMILESCn1cnc2c(N3CCN(c4ncnc5ccccc45)CC3)ncnc21
InChIInChI=1S/C18H18N8/c1-24-12-23-15-17(24)21-11-22-18(15)26-8-6-25(7-9-26)16-13-4-2-3-5-14(13)19-10-20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyUCRVEUSWXIGANJ-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.63
Rot. Bonds2

About 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline

4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline (PubChem CID 154853696) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
PubChem CID154853696
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
SMILESCn1cnc2c(N3CCN(c4ncnc5ccccc45)CC3)ncnc21
InChIInChI=1S/C18H18N8/c1-24-12-23-15-17(24)21-11-22-18(15)26-8-6-25(7-9-26)16-13-4-2-3-5-14(13)19-10-20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyUCRVEUSWXIGANJ-UHFFFAOYSA-N
XLogP1.63
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(azetidin-1-yl)-9-methylpurine
CID 147079717
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
CID 154853569
4-(azepan-1-yl)quinazoline
CID 5207391
3-[[4-(9-methylpurin-6-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998721
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
CID 163354244
4-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)quinazoline
CID 166605534
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine
CID 154829396
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline (CID 154853696) is 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline is Cn1cnc2c(N3CCN(c4ncnc5ccccc45)CC3)ncnc21.
What is the InChIKey of 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline?
The InChIKey is UCRVEUSWXIGANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-24-12-23-15-17(24)21-11-22-18(15)26-8-6-25(7-9-26)16-13-4-2-3-5-14(13)19-10-20-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline?
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline has a molecular weight of 346.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 154853696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).