4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline

C25H26N6O2 — CID 86296412

IUPAC4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C25H26N6O2/c1-32-22-13-20-21(14-23(22)33-2)28-17-29-24(20)30-8-10-31(11-9-30)25-26-15-19(16-27-25)12-18-6-4-3-5-7-18/h3-7,13-17H,8-12H2,1-2H3
InChIKeyVSZPUIIVZZARBI-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.35
Rot. Bonds6

About 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline

4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline (PubChem CID 86296412) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline
PubChem CID86296412
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C25H26N6O2/c1-32-22-13-20-21(14-23(22)33-2)28-17-29-24(20)30-8-10-31(11-9-30)25-26-15-19(16-27-25)12-18-6-4-3-5-7-18/h3-7,13-17H,8-12H2,1-2H3
InChIKeyVSZPUIIVZZARBI-UHFFFAOYSA-N
XLogP3.35
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Erlotinib
CID 176870
Vandetanib
CID 3081361
Doxazosin
CID 3157
Erlotinib Hydrochloride
CID 176871
Tandutinib
CID 3038522
Taprizosin
CID 6433102
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
Abanoquil
CID 164089
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
M-475271
CID 5330175

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
The IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline (CID 86296412) is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline is COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC.
What is the InChIKey of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
The InChIKey is VSZPUIIVZZARBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-32-22-13-20-21(14-23(22)33-2)28-17-29-24(20)30-8-10-31(11-9-30)25-26-15-19(16-27-25)12-18-6-4-3-5-7-18/h3-7,13-17H,8-12H2,1-2H3.
What are the key properties of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline?
4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline has a molecular weight of 442.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 86296412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).