6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline

C17H16N8 — CID 126894249

IUPAC6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline
SMILESc1ncc2cc(N3CCN(c4ncnc5nc[nH]c45)CC3)ccc2n1
InChIInChI=1S/C17H16N8/c1-2-14-12(8-18-9-19-14)7-13(1)24-3-5-25(6-4-24)17-15-16(21-10-20-15)22-11-23-17/h1-2,7-11H,3-6H2,(H,20,21,22,23)
InChIKeyINMZSECUGOLHCH-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.62
Rot. Bonds2

About 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline

6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline (PubChem CID 126894249) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline
PubChem CID126894249
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline
SMILESc1ncc2cc(N3CCN(c4ncnc5nc[nH]c45)CC3)ccc2n1
InChIInChI=1S/C17H16N8/c1-2-14-12(8-18-9-19-14)7-13(1)24-3-5-25(6-4-24)17-15-16(21-10-20-15)22-11-23-17/h1-2,7-11H,3-6H2,(H,20,21,22,23)
InChIKeyINMZSECUGOLHCH-UHFFFAOYSA-N
XLogP1.62
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-7H-purine
CID 133348137
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 154580454
2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163352034
(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 126894181
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
CID 126894311
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline (CID 126894249) is 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline is c1ncc2cc(N3CCN(c4ncnc5nc[nH]c45)CC3)ccc2n1.
What is the InChIKey of 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline?
The InChIKey is INMZSECUGOLHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-2-14-12(8-18-9-19-14)7-13(1)24-3-5-25(6-4-24)17-15-16(21-10-20-15)22-11-23-17/h1-2,7-11H,3-6H2,(H,20,21,22,23).
What are the key properties of 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline?
6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline has a molecular weight of 332.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).